N-(2-methyl-4-pyridinyl)-2-phenyltriazole-4-carboxamide

C15H13N5O — CID 110702383

IUPACN-(2-methyl-4-pyridinyl)-2-phenyltriazole-4-carboxamide
SMILESCc1cc(NC(=O)c2cnn(-c3ccccc3)n2)ccn1
InChIInChI=1S/C15H13N5O/c1-11-9-12(7-8-16-11)18-15(21)14-10-17-20(19-14)13-5-3-2-4-6-13/h2-10H,1H3,(H,16,18,21)
InChIKeyXDONBLHOERXHRM-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.22
Rot. Bonds3

About N-(2-methyl-4-pyridinyl)-2-phenyltriazole-4-carboxamide

N-(2-methyl-4-pyridinyl)-2-phenyltriazole-4-carboxamide (PubChem CID 110702383) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is N-(2-methyl-4-pyridinyl)-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-4-pyridinyl)-2-phenyltriazole-4-carboxamide
PubChem CID110702383
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC NameN-(2-methyl-4-pyridinyl)-2-phenyltriazole-4-carboxamide
SMILESCc1cc(NC(=O)c2cnn(-c3ccccc3)n2)ccn1
InChIInChI=1S/C15H13N5O/c1-11-9-12(7-8-16-11)18-15(21)14-10-17-20(19-14)13-5-3-2-4-6-13/h2-10H,1H3,(H,16,18,21)
InChIKeyXDONBLHOERXHRM-UHFFFAOYSA-N
XLogP2.22
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methyl-3-sulfamoylphenyl)-2-phenyltriazole-4-carboxamide
CID 51255621
N-[3-(2-hydroxypropan-2-yl)phenyl]-2-phenyltriazole-4-carboxamide
CID 86807567
N-(3-chloro-4-fluorophenyl)-2-phenyltriazole-4-carboxamide
CID 110702378
methyl 2-chloro-5-[(2-phenyltriazole-4-carbonyl)amino]benzoate
CID 134003458
2-phenyl-N-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide
CID 17418781
N-[3-(ethylcarbamoyl)phenyl]-2-phenyltriazole-4-carboxamide
CID 46421897
N-(4-carbamoylphenyl)-2-phenyltriazole-4-carboxamide
CID 24661146
N-(2-imidazol-1-ylpyrimidin-5-yl)-2-phenyltriazole-4-carboxamide
CID 122300794
2-phenyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]triazole-4-carboxamide
CID 122299278
N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenyltriazole-4-carboxamide
CID 51174918
N-(1-methylpyrazol-3-yl)-2-phenyltriazole-4-carboxamide
CID 18152599
2-phenyl-N-(1,3,4-thiadiazol-2-yl)triazole-4-carboxamide
CID 51295625

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-pyridinyl)-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-(2-methyl-4-pyridinyl)-2-phenyltriazole-4-carboxamide (CID 110702383) is N-(2-methyl-4-pyridinyl)-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-(2-methyl-4-pyridinyl)-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-(2-methyl-4-pyridinyl)-2-phenyltriazole-4-carboxamide is Cc1cc(NC(=O)c2cnn(-c3ccccc3)n2)ccn1.
What is the InChIKey of N-(2-methyl-4-pyridinyl)-2-phenyltriazole-4-carboxamide?
The InChIKey is XDONBLHOERXHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c1-11-9-12(7-8-16-11)18-15(21)14-10-17-20(19-14)13-5-3-2-4-6-13/h2-10H,1H3,(H,16,18,21).
What are the key properties of N-(2-methyl-4-pyridinyl)-2-phenyltriazole-4-carboxamide?
N-(2-methyl-4-pyridinyl)-2-phenyltriazole-4-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-pyridinyl)-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 110702383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).