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

C17H16ClN5O2 — CID 121116993

IUPACN-(3-chloro-4-methylphenyl)-2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2nc(-c3ccccn3)n(C)c2=O)cc1Cl
InChIInChI=1S/C17H16ClN5O2/c1-11-6-7-12(9-13(11)18)20-15(24)10-23-17(25)22(2)16(21-23)14-5-3-4-8-19-14/h3-9H,10H2,1-2H3,(H,20,24)
InChIKeySLTZAEIBDGLTGV-UHFFFAOYSA-N
MW357.80 g/mol
LogP2.24
Rot. Bonds4

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

N-(3-chloro-4-methylphenyl)-2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)acetamide (PubChem CID 121116993) has the molecular formula C17H16ClN5O2 and a molecular weight of 357.80 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)acetamide
PubChem CID121116993
Molecular FormulaC17H16ClN5O2
Molecular Weight357.80 g/mol
Exact Mass357.10
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2nc(-c3ccccn3)n(C)c2=O)cc1Cl
InChIInChI=1S/C17H16ClN5O2/c1-11-6-7-12(9-13(11)18)20-15(24)10-23-17(25)22(2)16(21-23)14-5-3-4-8-19-14/h3-9H,10H2,1-2H3,(H,20,24)
InChIKeySLTZAEIBDGLTGV-UHFFFAOYSA-N
XLogP2.24
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)-N-(3-methylphenyl)acetamide
CID 121116926
N-(3,4-dimethoxyphenyl)-2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)acetamide
CID 121116982
2-(2-chlorophenyl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]acetamide
CID 71793328
2-(2,4-dichlorophenoxy)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]acetamide
CID 121116038
N-(3-chloro-4-methylphenyl)-2-(pyridin-2-ylmethylamino)acetamide
CID 108999138
N-(3-chloro-4-methylphenyl)-2-[(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
CID 7190482
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-chloro-4-methylphenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052428
N-(3-chloro-4-methylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2550571
N-(3-chloro-4-methylphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 30424894
2-ethyl-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]butanamide
CID 121116005
N-[2-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethylamino]-2-oxoethyl]benzamide
CID 121115984

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)acetamide (CID 121116993) is N-(3-chloro-4-methylphenyl)-2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)acetamide is Cc1ccc(NC(=O)Cn2nc(-c3ccccn3)n(C)c2=O)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)acetamide?
The InChIKey is SLTZAEIBDGLTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O2/c1-11-6-7-12(9-13(11)18)20-15(24)10-23-17(25)22(2)16(21-23)14-5-3-4-8-19-14/h3-9H,10H2,1-2H3,(H,20,24).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)acetamide?
N-(3-chloro-4-methylphenyl)-2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)acetamide has a molecular weight of 357.80 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 121116993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).