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(3R,4S)-1-(2-ethylpyridine-4-carbonyl)-4-(propan-2-yl)pyrrolidin-3-amine

ChemBase ID: 865524
Molecular Formular: C15H23N3O
Molecular Mass: 261.36262
Monoisotopic Mass: 261.18411237
SMILES and InChIs

SMILES:
N1(C(=O)c2cc(ncc2)CC)C[C@@H]([C@H](C1)N)C(C)C
Canonical SMILES:
CCc1nccc(c1)C(=O)N1C[C@@H]([C@H](C1)N)C(C)C
InChI:
InChI=1S/C15H23N3O/c1-4-12-7-11(5-6-17-12)15(19)18-8-13(10(2)3)14(16)9-18/h5-7,10,13-14H,4,8-9,16H2,1-3H3/t13-,14+/m1/s1
InChIKey:
YTALCZXATMOVPW-KGLIPLIRSA-N

Cite this record

CBID:865524 http://www.chembase.cn/molecule-865524.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3R,4S)-1-(2-ethylpyridine-4-carbonyl)-4-(propan-2-yl)pyrrolidin-3-amine
IUPAC Traditional name
(3R,4S)-1-(2-ethylpyridine-4-carbonyl)-4-isopropylpyrrolidin-3-amine
Synonyms
(3R*,4S*)-1-(2-ethylisonicotinoyl)-4-isopropyl-3-pyrrolidinamine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 66692270 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) -1.7414919  LogD (pH = 7.4) -0.7275585 
Log P 1.2476012  Molar Refractivity 76.0737 cm3
Polarizability 29.555773 Å3 Polar Surface Area 59.22 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.76  LOG S -1.76 
Polar Surface Area 59.22 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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