2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)-N-(3-methylphenyl)acetamide

C17H17N5O2 — CID 121116926

IUPAC2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2nc(-c3ccccn3)n(C)c2=O)c1
InChIInChI=1S/C17H17N5O2/c1-12-6-5-7-13(10-12)19-15(23)11-22-17(24)21(2)16(20-22)14-8-3-4-9-18-14/h3-10H,11H2,1-2H3,(H,19,23)
InChIKeyRZLMAKKQGRSYBW-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.59
Rot. Bonds4

About 2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)-N-(3-methylphenyl)acetamide

2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)-N-(3-methylphenyl)acetamide (PubChem CID 121116926) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)-N-(3-methylphenyl)acetamide
PubChem CID121116926
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2nc(-c3ccccn3)n(C)c2=O)c1
InChIInChI=1S/C17H17N5O2/c1-12-6-5-7-13(10-12)19-15(23)11-22-17(24)21(2)16(20-22)14-8-3-4-9-18-14/h3-10H,11H2,1-2H3,(H,19,23)
InChIKeyRZLMAKKQGRSYBW-UHFFFAOYSA-N
XLogP1.59
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)acetamide
CID 121116993
N-(3,4-dimethoxyphenyl)-2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)acetamide
CID 121116982
N-(2,5-dimethoxyphenyl)-2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)acetamide
CID 121116983
N-(3-methylphenyl)-2-(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 68874135
2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)-N-(3-methylphenyl)acetamide
CID 50927038
2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide
CID 166241451
2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-methylphenyl)acetamide
CID 17129197
N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-4-oxo-4-phenylbutanamide
CID 71793308
N-(3-methylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662380
2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]acetamide
CID 121116075
2-(5-methyl-3-oxo-7-pyridin-2-yl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)-N-(4-methylphenyl)acetamide
CID 53156776
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(3-methylphenyl)acetamide
CID 26914167

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)-N-(3-methylphenyl)acetamide (CID 121116926) is 2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)Cn2nc(-c3ccccn3)n(C)c2=O)c1.
What is the InChIKey of 2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)-N-(3-methylphenyl)acetamide?
The InChIKey is RZLMAKKQGRSYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-12-6-5-7-13(10-12)19-15(23)11-22-17(24)21(2)16(20-22)14-8-3-4-9-18-14/h3-10H,11H2,1-2H3,(H,19,23).
What are the key properties of 2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)-N-(3-methylphenyl)acetamide?
2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)-N-(3-methylphenyl)acetamide has a molecular weight of 323.36 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 121116926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).