N-[4-(benzylcarbamoyl)phenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide

C22H18N6O2 — CID 22587016

IUPACN-[4-(benzylcarbamoyl)phenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(NC(=O)c2cccc(-n3cnnc3)n2)cc1
InChIInChI=1S/C22H18N6O2/c29-21(23-13-16-5-2-1-3-6-16)17-9-11-18(12-10-17)26-22(30)19-7-4-8-20(27-19)28-14-24-25-15-28/h1-12,14-15H,13H2,(H,23,29)(H,26,30)
InChIKeyRHCVOTZJPFYOQU-UHFFFAOYSA-N
MW398.43 g/mol
LogP2.84
Rot. Bonds6

About N-[4-(benzylcarbamoyl)phenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide

N-[4-(benzylcarbamoyl)phenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide (PubChem CID 22587016) has the molecular formula C22H18N6O2 and a molecular weight of 398.43 g/mol. Its IUPAC name is N-[4-(benzylcarbamoyl)phenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(benzylcarbamoyl)phenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
PubChem CID22587016
Molecular FormulaC22H18N6O2
Molecular Weight398.43 g/mol
Exact Mass398.15
IUPAC NameN-[4-(benzylcarbamoyl)phenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(NC(=O)c2cccc(-n3cnnc3)n2)cc1
InChIInChI=1S/C22H18N6O2/c29-21(23-13-16-5-2-1-3-6-16)17-9-11-18(12-10-17)26-22(30)19-7-4-8-20(27-19)28-14-24-25-15-28/h1-12,14-15H,13H2,(H,23,29)(H,26,30)
InChIKeyRHCVOTZJPFYOQU-UHFFFAOYSA-N
XLogP2.84
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-benzylpyrazol-4-yl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 134712672
N-(4-methylphenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 22586962
methyl 4-[[6-(benzylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
CID 109097311
2-N-benzyl-6-N-(4-methylphenyl)pyridine-2,6-dicarboxamide
CID 109097257
N-[2-[2-(2-benzamidoethylamino)-2-oxoethyl]indazol-5-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 134422759
6-imidazol-1-yl-N-phenylpyridine-2-carboxamide
CID 97260029
N-(2-iodophenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 22586966
1-N-benzyl-4-N-(4-ethylphenyl)benzene-1,4-dicarboxamide
CID 109046714
N-benzyl-4-[(2,2-diphenylacetyl)amino]benzamide
CID 22449907
6-N-(4-methylphenyl)-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097523
methyl N-[4-(benzylcarbamoyl)phenyl]carbamate
CID 803106
1-N-benzyl-3-N-(4-chlorophenyl)benzene-1,3-dicarboxamide
CID 109054145

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzylcarbamoyl)phenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-[4-(benzylcarbamoyl)phenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide (CID 22587016) is N-[4-(benzylcarbamoyl)phenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(benzylcarbamoyl)phenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[4-(benzylcarbamoyl)phenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide is O=C(NCc1ccccc1)c1ccc(NC(=O)c2cccc(-n3cnnc3)n2)cc1.
What is the InChIKey of N-[4-(benzylcarbamoyl)phenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide?
The InChIKey is RHCVOTZJPFYOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O2/c29-21(23-13-16-5-2-1-3-6-16)17-9-11-18(12-10-17)26-22(30)19-7-4-8-20(27-19)28-14-24-25-15-28/h1-12,14-15H,13H2,(H,23,29)(H,26,30).
What are the key properties of N-[4-(benzylcarbamoyl)phenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide?
N-[4-(benzylcarbamoyl)phenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide has a molecular weight of 398.43 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzylcarbamoyl)phenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 22587016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).