N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-5-cyano-6-methylpyridine-2-carboxamide

C15H18N8O — CID 154783190

IUPACN-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-5-cyano-6-methylpyridine-2-carboxamide
SMILESCc1nc(C(=O)NC2CCN(c3n[nH]c(N)n3)CC2)ccc1C#N
InChIInChI=1S/C15H18N8O/c1-9-10(8-16)2-3-12(18-9)13(24)19-11-4-6-23(7-5-11)15-20-14(17)21-22-15/h2-3,11H,4-7H2,1H3,(H,19,24)(H3,17,20,21,22)
InChIKeyGZKKGICSTXKMQF-UHFFFAOYSA-N
MW326.36 g/mol
LogP0.36
Rot. Bonds3

About N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-5-cyano-6-methylpyridine-2-carboxamide

N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-5-cyano-6-methylpyridine-2-carboxamide (PubChem CID 154783190) has the molecular formula C15H18N8O and a molecular weight of 326.36 g/mol. Its IUPAC name is N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-5-cyano-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-5-cyano-6-methylpyridine-2-carboxamide
PubChem CID154783190
Molecular FormulaC15H18N8O
Molecular Weight326.36 g/mol
Exact Mass326.16
IUPAC NameN-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-5-cyano-6-methylpyridine-2-carboxamide
SMILESCc1nc(C(=O)NC2CCN(c3n[nH]c(N)n3)CC2)ccc1C#N
InChIInChI=1S/C15H18N8O/c1-9-10(8-16)2-3-12(18-9)13(24)19-11-4-6-23(7-5-11)15-20-14(17)21-22-15/h2-3,11H,4-7H2,1H3,(H,19,24)(H3,17,20,21,22)
InChIKeyGZKKGICSTXKMQF-UHFFFAOYSA-N
XLogP0.36
TPSA136.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-5-cyano-6-methylpyridine-2-carboxamide with MolForge

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Related Compounds

N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-1-cyano-5,6,7,8-tetrahydroindolizine-3-carboxamide
CID 166434471
beryllium;1-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-3-phenylurea;hydride
CID 163467523
N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]imidazo[1,2-a]pyrazine-2-carboxamide
CID 166379619
1-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-3-(2,4,5-trichlorophenyl)urea
CID 118165429
N-(4-cyanocyclohexyl)-5,6-dimethylpyridine-2-carboxamide;ethane
CID 168957463
5-cyano-6-methylpyridine-2-carboxylic acid;ethane
CID 143901939
N-[1-(4-cyanopyrimidin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 171994191
5-tert-butyl-6-cyano-N-cyclopropylpyridine-2-carboxamide
CID 176964992
2-methyl-6-(piperidin-4-ylcarbamoyl)pyridine-3-carboxylic acid
CID 61403303
6-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl]-2-methylpyridine-3-carbonitrile
CID 97066130
N-[1-(2-cyanoacetyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108554971
3-amino-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide
CID 62806830

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-5-cyano-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-5-cyano-6-methylpyridine-2-carboxamide (CID 154783190) is N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-5-cyano-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-5-cyano-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-5-cyano-6-methylpyridine-2-carboxamide is Cc1nc(C(=O)NC2CCN(c3n[nH]c(N)n3)CC2)ccc1C#N.
What is the InChIKey of N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-5-cyano-6-methylpyridine-2-carboxamide?
The InChIKey is GZKKGICSTXKMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8O/c1-9-10(8-16)2-3-12(18-9)13(24)19-11-4-6-23(7-5-11)15-20-14(17)21-22-15/h2-3,11H,4-7H2,1H3,(H,19,24)(H3,17,20,21,22).
What are the key properties of N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-5-cyano-6-methylpyridine-2-carboxamide?
N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-5-cyano-6-methylpyridine-2-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 0.36, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-5-cyano-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 154783190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).