1-[(3S)-1-(5-cyano-2-pyridinyl)piperidin-3-yl]-N-(2-hydroxyethyl)triazole-4-carboxamide

C16H19N7O2 — CID 95202808

IUPAC1-[(3S)-1-(5-cyano-2-pyridinyl)piperidin-3-yl]-N-(2-hydroxyethyl)triazole-4-carboxamide
SMILESN#Cc1ccc(N2CCC[C@H](n3cc(C(=O)NCCO)nn3)C2)nc1
InChIInChI=1S/C16H19N7O2/c17-8-12-3-4-15(19-9-12)22-6-1-2-13(10-22)23-11-14(20-21-23)16(25)18-5-7-24/h3-4,9,11,13,24H,1-2,5-7,10H2,(H,18,25)/t13-/m0/s1
InChIKeyJJKYNMHLXCZKJP-ZDUSSCGKSA-N
MW341.38 g/mol
LogP0.11
Rot. Bonds5

About 1-[(3S)-1-(5-cyano-2-pyridinyl)piperidin-3-yl]-N-(2-hydroxyethyl)triazole-4-carboxamide

1-[(3S)-1-(5-cyano-2-pyridinyl)piperidin-3-yl]-N-(2-hydroxyethyl)triazole-4-carboxamide (PubChem CID 95202808) has the molecular formula C16H19N7O2 and a molecular weight of 341.38 g/mol. Its IUPAC name is 1-[(3S)-1-(5-cyano-2-pyridinyl)piperidin-3-yl]-N-(2-hydroxyethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-[(3S)-1-(5-cyano-2-pyridinyl)piperidin-3-yl]-N-(2-hydroxyethyl)triazole-4-carboxamide
PubChem CID95202808
Molecular FormulaC16H19N7O2
Molecular Weight341.38 g/mol
Exact Mass341.16
IUPAC Name1-[(3S)-1-(5-cyano-2-pyridinyl)piperidin-3-yl]-N-(2-hydroxyethyl)triazole-4-carboxamide
SMILESN#Cc1ccc(N2CCC[C@H](n3cc(C(=O)NCCO)nn3)C2)nc1
InChIInChI=1S/C16H19N7O2/c17-8-12-3-4-15(19-9-12)22-6-1-2-13(10-22)23-11-14(20-21-23)16(25)18-5-7-24/h3-4,9,11,13,24H,1-2,5-7,10H2,(H,18,25)/t13-/m0/s1
InChIKeyJJKYNMHLXCZKJP-ZDUSSCGKSA-N
XLogP0.11
TPSA119.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[(3S)-1-(5-cyano-2-pyridinyl)piperidin-3-yl]-N-(2-hydroxyethyl)triazole-4-carboxamide with MolForge

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Related Compounds

N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119846496
N-cyclopentyl-1-[(3R)-1-(6-propan-2-ylpyridazin-3-yl)piperidin-3-yl]triazole-4-carboxamide
CID 95219826
1-(5-cyano-2-pyridinyl)-N,N-dimethylpiperidine-3-carboxamide
CID 47085267
6-(3-morpholin-4-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 172899261
N-(2-hydroxyethyl)-1-[(3S)-1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-3-yl]triazole-4-carboxamide
CID 95194251
5-[3-(4-methoxycarbonyltriazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid
CID 122054898
(3S)-1-(5-cyano-2-pyridinyl)-N-phenylpiperidine-3-carboxamide
CID 51928820
1-piperidin-4-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)triazole-4-carboxamide;dihydrochloride
CID 119839749
ethyl 1-(5-cyano-2-pyridinyl)piperidine-3-carboxylate
CID 24704715
N-(2-hydroxyethyl)-1-[1-[[4-(2-methylphenyl)phenyl]methyl]piperidin-3-yl]triazole-4-carboxamide
CID 45230197
1-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-N-(3-hydroxypropyl)triazole-4-carboxamide
CID 45234972
3-[1-(5-cyano-2-pyridinyl)piperidin-3-yl]butanoic acid
CID 81046783

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-(5-cyano-2-pyridinyl)piperidin-3-yl]-N-(2-hydroxyethyl)triazole-4-carboxamide?
The IUPAC name of 1-[(3S)-1-(5-cyano-2-pyridinyl)piperidin-3-yl]-N-(2-hydroxyethyl)triazole-4-carboxamide (CID 95202808) is 1-[(3S)-1-(5-cyano-2-pyridinyl)piperidin-3-yl]-N-(2-hydroxyethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-[(3S)-1-(5-cyano-2-pyridinyl)piperidin-3-yl]-N-(2-hydroxyethyl)triazole-4-carboxamide?
The canonical SMILES for 1-[(3S)-1-(5-cyano-2-pyridinyl)piperidin-3-yl]-N-(2-hydroxyethyl)triazole-4-carboxamide is N#Cc1ccc(N2CCC[C@H](n3cc(C(=O)NCCO)nn3)C2)nc1.
What is the InChIKey of 1-[(3S)-1-(5-cyano-2-pyridinyl)piperidin-3-yl]-N-(2-hydroxyethyl)triazole-4-carboxamide?
The InChIKey is JJKYNMHLXCZKJP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19N7O2/c17-8-12-3-4-15(19-9-12)22-6-1-2-13(10-22)23-11-14(20-21-23)16(25)18-5-7-24/h3-4,9,11,13,24H,1-2,5-7,10H2,(H,18,25)/t13-/m0/s1.
What are the key properties of 1-[(3S)-1-(5-cyano-2-pyridinyl)piperidin-3-yl]-N-(2-hydroxyethyl)triazole-4-carboxamide?
1-[(3S)-1-(5-cyano-2-pyridinyl)piperidin-3-yl]-N-(2-hydroxyethyl)triazole-4-carboxamide has a molecular weight of 341.38 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-(5-cyano-2-pyridinyl)piperidin-3-yl]-N-(2-hydroxyethyl)triazole-4-carboxamide is sourced from PubChem (CID 95202808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).