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162104814 molecular structure
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N-[(3R)-piperidin-3-yl]pyridine-4-carboxamide dihydrochloride

ChemBase ID: 90811
Molecular Formular: C11H17Cl2N3O
Molecular Mass: 278.17818
Monoisotopic Mass: 277.07486754
SMILES and InChIs

SMILES:
N([C@H]1CNCCC1)C(=O)c1ccncc1.Cl.Cl
Canonical SMILES:
O=C(c1ccncc1)N[C@@H]1CCCNC1.Cl.Cl
InChI:
InChI=1S/C11H15N3O.2ClH/c15-11(9-3-6-12-7-4-9)14-10-2-1-5-13-8-10;;/h3-4,6-7,10,13H,1-2,5,8H2,(H,14,15);2*1H/t10-;;/m1../s1
InChIKey:
DJQHHLNIWFFUOD-YQFADDPSSA-N

Cite this record

CBID:90811 http://www.chembase.cn/molecule-90811.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[(3R)-piperidin-3-yl]pyridine-4-carboxamide dihydrochloride
IUPAC Traditional name
N-[(3R)-piperidin-3-yl]pyridine-4-carboxamide dihydrochloride
Synonyms
N-[(3S)-(Piperidin-3-yl)]pyridine-4-carboxamide dihydrochloride
(3S)-3-{[(Pyridin-4-yl)carbonyl]amino}piperidine dihydrochloride
4-[(3S)-(Piperidin-3-yl)carbamoyl]pyridine dihydrochloride
N-[(3S)-(Piperidin-3-yl)]isonicotinamide dihydrochloride
PubChem SID
162104814
PubChem CID
53256501

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 53256501 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.256869  H Acceptors
H Donor LogD (pH = 5.5) -3.2477338 
LogD (pH = 7.4) -2.1644876  Log P -0.068949126 
Molar Refractivity 57.8118 cm3 Polarizability 22.268263 Å3
Polar Surface Area 54.02 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Harmful/Irritant/Store under Argon expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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