Home > Compound List > Compound details
 molecular structure
click picture or here to close

6-amino-N-[(3R,4S)-4-cyclopropyl-1-methanesulfonylpyrrolidin-3-yl]pyridine-3-carboxamide

ChemBase ID: 470593
Molecular Formular: C14H20N4O3S
Molecular Mass: 324.3986
Monoisotopic Mass: 324.12561152
SMILES and InChIs

SMILES:
S(=O)(=O)(N1C[C@@H]([C@H](C1)NC(=O)c1cnc(cc1)N)C1CC1)C
Canonical SMILES:
Nc1ccc(cn1)C(=O)N[C@H]1CN(C[C@@H]1C1CC1)S(=O)(=O)C
InChI:
InChI=1S/C14H20N4O3S/c1-22(20,21)18-7-11(9-2-3-9)12(8-18)17-14(19)10-4-5-13(15)16-6-10/h4-6,9,11-12H,2-3,7-8H2,1H3,(H2,15,16)(H,17,19)/t11-,12+/m1/s1
InChIKey:
LCLFXJAQWLUJSA-NEPJUHHUSA-N

Cite this record

CBID:470593 http://www.chembase.cn/molecule-470593.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-amino-N-[(3R,4S)-4-cyclopropyl-1-methanesulfonylpyrrolidin-3-yl]pyridine-3-carboxamide
IUPAC Traditional name
6-amino-N-[(3R,4S)-4-cyclopropyl-1-methanesulfonylpyrrolidin-3-yl]pyridine-3-carboxamide
Synonyms
6-amino-N-[(3R*,4S*)-4-cyclopropyl-1-(methylsulfonyl)-3-pyrrolidinyl]nicotinamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 33978880 external link Add to cart
Data Source Data ID Price
ChemBridge
33978880 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 14.744062  H Acceptors
H Donor LogD (pH = 5.5) -1.1570597 
LogD (pH = 7.4) -0.97162783  Log P -0.96861374 
Molar Refractivity 83.1118 cm3 Polarizability 32.074593 Å3
Polar Surface Area 105.39 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.86  LOG S -2.3 
Polar Surface Area 105.39 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle