N-(3,4-dimethylphenyl)-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide

C17H17N5O — CID 53168735

IUPACN-(3,4-dimethylphenyl)-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide
SMILESCc1ccc(NC(=O)Cc2nc(-c3ccccn3)n[nH]2)cc1C
InChIInChI=1S/C17H17N5O/c1-11-6-7-13(9-12(11)2)19-16(23)10-15-20-17(22-21-15)14-5-3-4-8-18-14/h3-9H,10H2,1-2H3,(H,19,23)(H,20,21,22)
InChIKeyPXYDHRDGPYTNQC-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.66
Rot. Bonds4

About N-(3,4-dimethylphenyl)-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide

N-(3,4-dimethylphenyl)-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 53168735) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide
PubChem CID53168735
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC NameN-(3,4-dimethylphenyl)-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide
SMILESCc1ccc(NC(=O)Cc2nc(-c3ccccn3)n[nH]2)cc1C
InChIInChI=1S/C17H17N5O/c1-11-6-7-13(9-12(11)2)19-16(23)10-15-20-17(22-21-15)14-5-3-4-8-18-14/h3-9H,10H2,1-2H3,(H,19,23)(H,20,21,22)
InChIKeyPXYDHRDGPYTNQC-UHFFFAOYSA-N
XLogP2.66
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3,4-dimethylphenyl)-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-fluorophenyl)-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide
CID 53168730
N-(3-fluoro-4-methylphenyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide
CID 53168675
N-(3,4-dimethylphenyl)-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)acetamide
CID 110328985
N-[(3-chlorophenyl)methyl]-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide
CID 53168756
N-[(2,4-difluorophenyl)methyl]-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide
CID 53168769
N-(3,4-dimethylphenyl)-2-pyridin-4-ylacetamide
CID 110697303
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46602698
N-(3-hydroxy-4-methylphenyl)-2-pyridin-2-ylacetamide
CID 64794376
N,2-bis(3,4-dimethylphenyl)acetamide
CID 2600237
N-(3-chloro-4-methylphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 30424894
N-(3,4-dimethylphenyl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2983550
N-[4-methyl-3-(trifluoromethyl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 16579285

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide (CID 53168735) is N-(3,4-dimethylphenyl)-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide is Cc1ccc(NC(=O)Cc2nc(-c3ccccn3)n[nH]2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is PXYDHRDGPYTNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-11-6-7-13(9-12(11)2)19-16(23)10-15-20-17(22-21-15)14-5-3-4-8-18-14/h3-9H,10H2,1-2H3,(H,19,23)(H,20,21,22).
What are the key properties of N-(3,4-dimethylphenyl)-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide?
N-(3,4-dimethylphenyl)-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 307.36 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 53168735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).