N-(1-benzylpyrazol-4-yl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide

C18H15N7O — CID 134712672

IUPACN-(1-benzylpyrazol-4-yl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)c1cccc(-n2cnnc2)n1
InChIInChI=1S/C18H15N7O/c26-18(16-7-4-8-17(23-16)24-12-19-20-13-24)22-15-9-21-25(11-15)10-14-5-2-1-3-6-14/h1-9,11-13H,10H2,(H,22,26)
InChIKeyJMJDDRWTPRMVIS-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.16
Rot. Bonds5

About N-(1-benzylpyrazol-4-yl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide

N-(1-benzylpyrazol-4-yl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide (PubChem CID 134712672) has the molecular formula C18H15N7O and a molecular weight of 345.37 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
PubChem CID134712672
Molecular FormulaC18H15N7O
Molecular Weight345.37 g/mol
Exact Mass345.13
IUPAC NameN-(1-benzylpyrazol-4-yl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)c1cccc(-n2cnnc2)n1
InChIInChI=1S/C18H15N7O/c26-18(16-7-4-8-17(23-16)24-12-19-20-13-24)22-15-9-21-25(11-15)10-14-5-2-1-3-6-14/h1-9,11-13H,10H2,(H,22,26)
InChIKeyJMJDDRWTPRMVIS-UHFFFAOYSA-N
XLogP2.16
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(benzylcarbamoyl)phenyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 22587016
3-[3-[(1-benzylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19506527
N-(1-benzylpyrazol-4-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 55948214
N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide
CID 19395795
1-N-(1-benzylpyrazol-4-yl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 166194202
N-(1-benzylpyrazol-4-yl)-6-chloropyridine-3-carboxamide
CID 60526938
3,5-diacetamido-N-(1-benzylpyrazol-4-yl)benzamide
CID 60552582
N-(1-benzylpyrazol-4-yl)-2,5-dimethylfuran-3-carboxamide
CID 35761599
N-(1-benzylpyrazol-4-yl)-3-chloropropanamide
CID 54867188
N-(2-iodophenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 22586966
N-(1-benzylpyrazol-4-yl)-1-methyl-3-propylpyrazole-5-carboxamide
CID 134701056
N-(1-benzylpyrazol-4-yl)-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19397518

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide (CID 134712672) is N-(1-benzylpyrazol-4-yl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide is O=C(Nc1cnn(Cc2ccccc2)c1)c1cccc(-n2cnnc2)n1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide?
The InChIKey is JMJDDRWTPRMVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7O/c26-18(16-7-4-8-17(23-16)24-12-19-20-13-24)22-15-9-21-25(11-15)10-14-5-2-1-3-6-14/h1-9,11-13H,10H2,(H,22,26).
What are the key properties of N-(1-benzylpyrazol-4-yl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide?
N-(1-benzylpyrazol-4-yl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 134712672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).