N-piperidin-3-yl-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

C13H16N6O — CID 119424585

IUPACN-piperidin-3-yl-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
SMILESO=C(NC1CCCNC1)c1ccnc(-n2cncn2)c1
InChIInChI=1S/C13H16N6O/c20-13(18-11-2-1-4-14-7-11)10-3-5-16-12(6-10)19-9-15-8-17-19/h3,5-6,8-9,11,14H,1-2,4,7H2,(H,18,20)
InChIKeyIXDJEVRDDLDUAK-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.14
Rot. Bonds3

About N-piperidin-3-yl-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

N-piperidin-3-yl-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (PubChem CID 119424585) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is N-piperidin-3-yl-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-piperidin-3-yl-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
PubChem CID119424585
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC NameN-piperidin-3-yl-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
SMILESO=C(NC1CCCNC1)c1ccnc(-n2cncn2)c1
InChIInChI=1S/C13H16N6O/c20-13(18-11-2-1-4-14-7-11)10-3-5-16-12(6-10)19-9-15-8-17-19/h3,5-6,8-9,11,14H,1-2,4,7H2,(H,18,20)
InChIKeyIXDJEVRDDLDUAK-UHFFFAOYSA-N
XLogP0.14
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methylpiperazin-1-yl)-N-piperidin-3-ylpyridine-4-carboxamide
CID 119428584
N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 75363707
N-[(2-hydroxycyclopentyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 111464008
N-(2,3-dihydro-1H-inden-1-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51091744
N-(2-amino-1-cyclohexylethyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride
CID 119589222
N-(3,4-dihydro-2H-chromen-4-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51087861
N-(3-amino-1-cyclohexyl-3-oxopropyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 126778692
2-(4-methylpiperazin-1-yl)-N-pyrrolidin-3-ylpyridine-4-carboxamide
CID 119453711
N-[(1S,2R,3S,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 166350686
N-piperidin-3-ylbenzamide
CID 22017045
N-(2-acetyl-8-fluoro-1,3,4,5-tetrahydro-2-benzazepin-5-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 126775821
3-bromo-N-piperidin-3-ylbenzamide
CID 63321592

Frequently Asked Questions

What is the IUPAC name of N-piperidin-3-yl-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-piperidin-3-yl-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (CID 119424585) is N-piperidin-3-yl-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-piperidin-3-yl-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-piperidin-3-yl-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is O=C(NC1CCCNC1)c1ccnc(-n2cncn2)c1.
What is the InChIKey of N-piperidin-3-yl-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The InChIKey is IXDJEVRDDLDUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c20-13(18-11-2-1-4-14-7-11)10-3-5-16-12(6-10)19-9-15-8-17-19/h3,5-6,8-9,11,14H,1-2,4,7H2,(H,18,20).
What are the key properties of N-piperidin-3-yl-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
N-piperidin-3-yl-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-3-yl-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 119424585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).