N-(2-methyl-5-nitrophenyl)-2-pyridin-2-ylacetamide

C14H13N3O3 — CID 110468231

IUPACN-(2-methyl-5-nitrophenyl)-2-pyridin-2-ylacetamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccccn1
InChIInChI=1S/C14H13N3O3/c1-10-5-6-12(17(19)20)9-13(10)16-14(18)8-11-4-2-3-7-15-11/h2-7,9H,8H2,1H3,(H,16,18)
InChIKeyMLJVUPQZKHWGPA-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.48
Rot. Bonds4

About N-(2-methyl-5-nitrophenyl)-2-pyridin-2-ylacetamide

N-(2-methyl-5-nitrophenyl)-2-pyridin-2-ylacetamide (PubChem CID 110468231) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is N-(2-methyl-5-nitrophenyl)-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-(2-methyl-5-nitrophenyl)-2-pyridin-2-ylacetamide
PubChem CID110468231
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC NameN-(2-methyl-5-nitrophenyl)-2-pyridin-2-ylacetamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccccn1
InChIInChI=1S/C14H13N3O3/c1-10-5-6-12(17(19)20)9-13(10)16-14(18)8-11-4-2-3-7-15-11/h2-7,9H,8H2,1H3,(H,16,18)
InChIKeyMLJVUPQZKHWGPA-UHFFFAOYSA-N
XLogP2.48
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-methyl-5-nitrophenyl)-2-pyridin-2-ylacetamide 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-methyl-3-nitrophenyl)-2-pyridin-2-ylacetamide
CID 110468233
N-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]-2-phenylacetamide
CID 51161641
N-(2-methyl-5-nitrophenyl)-3-pyridin-2-ylprop-2-enamide
CID 67494338
N,N'-bis(2-methyl-5-nitrophenyl)nonanediamide
CID 4508002
2-methyl-4-nitro-N-(2-pyridin-2-ylethyl)aniline
CID 23104828
N-(2,3-dimethylphenyl)-2-pyridin-2-ylacetamide
CID 110696972
3-chloro-N-(2-methyl-5-nitrophenyl)propanamide
CID 4159134
3-(2-chlorophenyl)-N-(2-methyl-5-nitrophenyl)propanamide
CID 17178933
1-(2-methyl-5-nitrophenyl)-3-(2-methylphenyl)urea
CID 19165614
N-(2,5-dimethyl-4-pyridinyl)-2-(3-nitrophenyl)acetamide
CID 71912285
3-amino-N-(2-methyl-5-nitrophenyl)pyridine-2-carboxamide
CID 104741301
2-(2-acetylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 7859185

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-nitrophenyl)-2-pyridin-2-ylacetamide?
The IUPAC name of N-(2-methyl-5-nitrophenyl)-2-pyridin-2-ylacetamide (CID 110468231) is N-(2-methyl-5-nitrophenyl)-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-(2-methyl-5-nitrophenyl)-2-pyridin-2-ylacetamide?
The canonical SMILES for N-(2-methyl-5-nitrophenyl)-2-pyridin-2-ylacetamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccccn1.
What is the InChIKey of N-(2-methyl-5-nitrophenyl)-2-pyridin-2-ylacetamide?
The InChIKey is MLJVUPQZKHWGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-10-5-6-12(17(19)20)9-13(10)16-14(18)8-11-4-2-3-7-15-11/h2-7,9H,8H2,1H3,(H,16,18).
What are the key properties of N-(2-methyl-5-nitrophenyl)-2-pyridin-2-ylacetamide?
N-(2-methyl-5-nitrophenyl)-2-pyridin-2-ylacetamide has a molecular weight of 271.28 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-nitrophenyl)-2-pyridin-2-ylacetamide is sourced from PubChem (CID 110468231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).