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

C25H23N7O — CID 166690926

IUPAC4-(5-cyano-3-pyridinyl)-N-[3-(4-pentyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
SMILESCCCCCn1cnnc1-c1cccc(NC(=O)c2cc(-c3cncc(C#N)c3)ccn2)c1
InChIInChI=1S/C25H23N7O/c1-2-3-4-10-32-17-29-31-24(32)20-6-5-7-22(12-20)30-25(33)23-13-19(8-9-28-23)21-11-18(14-26)15-27-16-21/h5-9,11-13,15-17H,2-4,10H2,1H3,(H,30,33)
InChIKeyKOTFKCUMAZNECT-UHFFFAOYSA-N
MW437.51 g/mol
LogP4.72
Rot. Bonds8

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

4-(5-cyano-3-pyridinyl)-N-[3-(4-pentyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide (PubChem CID 166690926) has the molecular formula C25H23N7O and a molecular weight of 437.51 g/mol. Its IUPAC name is 4-(5-cyano-3-pyridinyl)-N-[3-(4-pentyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(5-cyano-3-pyridinyl)-N-[3-(4-pentyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
PubChem CID166690926
Molecular FormulaC25H23N7O
Molecular Weight437.51 g/mol
Exact Mass437.20
IUPAC Name4-(5-cyano-3-pyridinyl)-N-[3-(4-pentyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
SMILESCCCCCn1cnnc1-c1cccc(NC(=O)c2cc(-c3cncc(C#N)c3)ccn2)c1
InChIInChI=1S/C25H23N7O/c1-2-3-4-10-32-17-29-31-24(32)20-6-5-7-22(12-20)30-25(33)23-13-19(8-9-28-23)21-11-18(14-26)15-27-16-21/h5-9,11-13,15-17H,2-4,10H2,1H3,(H,30,33)
InChIKeyKOTFKCUMAZNECT-UHFFFAOYSA-N
XLogP4.72
TPSA109.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.51
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(5-cyano-3-pyridinyl)-N-[3-(4-pentyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide with MolForge

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Related Compounds

4-(dimethylamino)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 86801220
N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-pyridin-3-ylpyridine-2-carboxamide
CID 58102999
4-chloro-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 43070910
5-cyano-N-[4-methyl-3-[5-[2-(methylcarbamoyl)-4-pyridinyl]-3-pyridinyl]phenyl]pyridazine-3-carboxamide
CID 176565436
N-[3-[4-[(2R)-2-hydroxypropyl]-1,2,4-triazol-3-yl]phenyl]-5-pyridin-4-ylpyridine-2-carboxamide
CID 71184092
N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 38314118
4-[butyl(methyl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109217911
N-(3-cyanophenyl)-4-(diethylamino)pyridine-2-carboxamide
CID 109216610
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-6-methylpyridine-3-carboxamide
CID 32577899
N-[3-(4-butan-2-yl-1,2,4-triazol-3-yl)phenyl]-4-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridine-2-carboxamide
CID 166690905
N-[3-[4-(2-acetamidoethyl)-1,2,4-triazol-3-yl]phenyl]-3-pyridin-4-ylpyridine-2-carboxamide
CID 135365505
2-N-(3-cyanophenyl)-4-N-propylpyridine-2,4-dicarboxamide
CID 109077804

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyano-3-pyridinyl)-N-[3-(4-pentyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-(5-cyano-3-pyridinyl)-N-[3-(4-pentyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide (CID 166690926) is 4-(5-cyano-3-pyridinyl)-N-[3-(4-pentyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(5-cyano-3-pyridinyl)-N-[3-(4-pentyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(5-cyano-3-pyridinyl)-N-[3-(4-pentyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide is CCCCCn1cnnc1-c1cccc(NC(=O)c2cc(-c3cncc(C#N)c3)ccn2)c1.
What is the InChIKey of 4-(5-cyano-3-pyridinyl)-N-[3-(4-pentyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide?
The InChIKey is KOTFKCUMAZNECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O/c1-2-3-4-10-32-17-29-31-24(32)20-6-5-7-22(12-20)30-25(33)23-13-19(8-9-28-23)21-11-18(14-26)15-27-16-21/h5-9,11-13,15-17H,2-4,10H2,1H3,(H,30,33).
What are the key properties of 4-(5-cyano-3-pyridinyl)-N-[3-(4-pentyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide?
4-(5-cyano-3-pyridinyl)-N-[3-(4-pentyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 437.51 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyano-3-pyridinyl)-N-[3-(4-pentyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 166690926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).