6-cyclopropyl-N-[3-(4-phenyl-1,2,4-triazol-3-yl)phenyl]-3-pyridin-4-ylpyridine-2-carboxamide

C28H22N6O — CID 118450793

IUPAC6-cyclopropyl-N-[3-(4-phenyl-1,2,4-triazol-3-yl)phenyl]-3-pyridin-4-ylpyridine-2-carboxamide
SMILESO=C(Nc1cccc(-c2nncn2-c2ccccc2)c1)c1nc(C2CC2)ccc1-c1ccncc1
InChIInChI=1S/C28H22N6O/c35-28(26-24(19-13-15-29-16-14-19)11-12-25(32-26)20-9-10-20)31-22-6-4-5-21(17-22)27-33-30-18-34(27)23-7-2-1-3-8-23/h1-8,11-18,20H,9-10H2,(H,31,35)
InChIKeyMNVPLXYFHPWJQZ-UHFFFAOYSA-N
MW458.53 g/mol
LogP5.52
Rot. Bonds6

About 6-cyclopropyl-N-[3-(4-phenyl-1,2,4-triazol-3-yl)phenyl]-3-pyridin-4-ylpyridine-2-carboxamide

6-cyclopropyl-N-[3-(4-phenyl-1,2,4-triazol-3-yl)phenyl]-3-pyridin-4-ylpyridine-2-carboxamide (PubChem CID 118450793) has the molecular formula C28H22N6O and a molecular weight of 458.53 g/mol. Its IUPAC name is 6-cyclopropyl-N-[3-(4-phenyl-1,2,4-triazol-3-yl)phenyl]-3-pyridin-4-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[3-(4-phenyl-1,2,4-triazol-3-yl)phenyl]-3-pyridin-4-ylpyridine-2-carboxamide
PubChem CID118450793
Molecular FormulaC28H22N6O
Molecular Weight458.53 g/mol
Exact Mass458.19
IUPAC Name6-cyclopropyl-N-[3-(4-phenyl-1,2,4-triazol-3-yl)phenyl]-3-pyridin-4-ylpyridine-2-carboxamide
SMILESO=C(Nc1cccc(-c2nncn2-c2ccccc2)c1)c1nc(C2CC2)ccc1-c1ccncc1
InChIInChI=1S/C28H22N6O/c35-28(26-24(19-13-15-29-16-14-19)11-12-25(32-26)20-9-10-20)31-22-6-4-5-21(17-22)27-33-30-18-34(27)23-7-2-1-3-8-23/h1-8,11-18,20H,9-10H2,(H,31,35)
InChIKeyMNVPLXYFHPWJQZ-UHFFFAOYSA-N
XLogP5.52
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.53
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-cyclopropyl-N-[3-(4-phenyl-1,2,4-triazol-3-yl)phenyl]-3-pyridin-4-ylpyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-3-pyridin-4-ylpyridine-2-carboxamide
CID 135365529
N-[3-[4-(2-acetamidoethyl)-1,2,4-triazol-3-yl]phenyl]-3-pyridin-4-ylpyridine-2-carboxamide
CID 135365505
4-(4-cyclopropylimidazol-1-yl)-N-[3-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]phenyl]pyridine-2-carboxamide
CID 58102989
4-(6-cyclopropyl-3-pyridinyl)-N-[3-[4-[(2S)-3-methylbutan-2-yl]-1,2,4-triazol-3-yl]phenyl]pyridine-2-carboxamide
CID 58103009
N-[3-[4-[(1S)-1-cyclopropylethyl]-1,2,4-triazol-3-yl]phenyl]-4-(6-cyclopropyl-3-pyridinyl)pyridine-2-carboxamide
CID 58102998
N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridin-4-ylpyridine-2-carboxamide
CID 118450800
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 32577002
4-(4-cyclopropylimidazol-1-yl)-N-[3-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]phenyl]pyridine-2-carboxamide
CID 66851754
N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 38314118
4-(2-anilino-3-pyridinyl)-N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 66900294
N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-pyridin-3-ylpyridine-2-carboxamide
CID 58102999
4-(4-cyclopropylimidazol-1-yl)-1-[3-(4-phenyl-1,2,4-triazol-3-yl)phenyl]pyridin-1-ium
CID 150324259

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[3-(4-phenyl-1,2,4-triazol-3-yl)phenyl]-3-pyridin-4-ylpyridine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[3-(4-phenyl-1,2,4-triazol-3-yl)phenyl]-3-pyridin-4-ylpyridine-2-carboxamide (CID 118450793) is 6-cyclopropyl-N-[3-(4-phenyl-1,2,4-triazol-3-yl)phenyl]-3-pyridin-4-ylpyridine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[3-(4-phenyl-1,2,4-triazol-3-yl)phenyl]-3-pyridin-4-ylpyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[3-(4-phenyl-1,2,4-triazol-3-yl)phenyl]-3-pyridin-4-ylpyridine-2-carboxamide is O=C(Nc1cccc(-c2nncn2-c2ccccc2)c1)c1nc(C2CC2)ccc1-c1ccncc1.
What is the InChIKey of 6-cyclopropyl-N-[3-(4-phenyl-1,2,4-triazol-3-yl)phenyl]-3-pyridin-4-ylpyridine-2-carboxamide?
The InChIKey is MNVPLXYFHPWJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N6O/c35-28(26-24(19-13-15-29-16-14-19)11-12-25(32-26)20-9-10-20)31-22-6-4-5-21(17-22)27-33-30-18-34(27)23-7-2-1-3-8-23/h1-8,11-18,20H,9-10H2,(H,31,35).
What are the key properties of 6-cyclopropyl-N-[3-(4-phenyl-1,2,4-triazol-3-yl)phenyl]-3-pyridin-4-ylpyridine-2-carboxamide?
6-cyclopropyl-N-[3-(4-phenyl-1,2,4-triazol-3-yl)phenyl]-3-pyridin-4-ylpyridine-2-carboxamide has a molecular weight of 458.53 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[3-(4-phenyl-1,2,4-triazol-3-yl)phenyl]-3-pyridin-4-ylpyridine-2-carboxamide is sourced from PubChem (CID 118450793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).