2-cyano-N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide

C17H14N6O — CID 138989696

IUPAC2-cyano-N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide
SMILESCCc1nc(-c2ccccc2NC(=O)c2ccnc(C#N)c2)n[nH]1
InChIInChI=1S/C17H14N6O/c1-2-15-21-16(23-22-15)13-5-3-4-6-14(13)20-17(24)11-7-8-19-12(9-11)10-18/h3-9H,2H2,1H3,(H,20,24)(H,21,22,23)
InChIKeySHORSSMCQXQKMS-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.55
Rot. Bonds4

About 2-cyano-N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide

2-cyano-N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide (PubChem CID 138989696) has the molecular formula C17H14N6O and a molecular weight of 318.34 g/mol. Its IUPAC name is 2-cyano-N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-cyano-N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide
PubChem CID138989696
Molecular FormulaC17H14N6O
Molecular Weight318.34 g/mol
Exact Mass318.12
IUPAC Name2-cyano-N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide
SMILESCCc1nc(-c2ccccc2NC(=O)c2ccnc(C#N)c2)n[nH]1
InChIInChI=1S/C17H14N6O/c1-2-15-21-16(23-22-15)13-5-3-4-6-14(13)20-17(24)11-7-8-19-12(9-11)10-18/h3-9H,2H2,1H3,(H,20,24)(H,21,22,23)
InChIKeySHORSSMCQXQKMS-UHFFFAOYSA-N
XLogP2.55
TPSA107.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 167970718
N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-4-methylsulfinylbenzamide
CID 138989499
ethyl 4-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]benzoate
CID 138989702
N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-6-sulfamoylpyridine-3-carboxamide
CID 154796060
N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-1-methylindole-2-carboxamide
CID 138989491
4-(cyclopropylmethylsulfonyl)-N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 146148764
N-(1H-benzimidazol-2-yl)-2-cyanopyridine-4-carboxamide
CID 112527987
N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 167791700
2-cyano-N-(2,4-dichlorophenyl)pyridine-4-carboxamide
CID 112523952
2-cyano-N-(2,4-difluorophenyl)pyridine-4-carboxamide
CID 115115799
N-(5-bromo-2-fluorophenyl)-2-cyanopyridine-4-carboxamide
CID 115115806
2-cyano-N-propan-2-ylpyridine-4-carboxamide
CID 112520008

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-cyano-N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide (CID 138989696) is 2-cyano-N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-cyano-N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-cyano-N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide is CCc1nc(-c2ccccc2NC(=O)c2ccnc(C#N)c2)n[nH]1.
What is the InChIKey of 2-cyano-N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide?
The InChIKey is SHORSSMCQXQKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O/c1-2-15-21-16(23-22-15)13-5-3-4-6-14(13)20-17(24)11-7-8-19-12(9-11)10-18/h3-9H,2H2,1H3,(H,20,24)(H,21,22,23).
What are the key properties of 2-cyano-N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide?
2-cyano-N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide has a molecular weight of 318.34 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 138989696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).