2,5-dimethylpyridine;3-(3-formamidophenyl)-N-methylpropanamide

C18H23N3O2 — CID 143980464

IUPAC2,5-dimethylpyridine;3-(3-formamidophenyl)-N-methylpropanamide
SMILESCNC(=O)CCc1cccc(NC=O)c1.Cc1ccc(C)nc1
InChIInChI=1S/C11H14N2O2.C7H9N/c1-12-11(15)6-5-9-3-2-4-10(7-9)13-8-14;1-6-3-4-7(2)8-5-6/h2-4,7-8H,5-6H2,1H3,(H,12,15)(H,13,14);3-5H,1-2H3
InChIKeyCGGCSLXSSKVERG-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.63
Rot. Bonds5

About 2,5-dimethylpyridine;3-(3-formamidophenyl)-N-methylpropanamide

2,5-dimethylpyridine;3-(3-formamidophenyl)-N-methylpropanamide (PubChem CID 143980464) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2,5-dimethylpyridine;3-(3-formamidophenyl)-N-methylpropanamide.

Molecular Properties

Compound Name2,5-dimethylpyridine;3-(3-formamidophenyl)-N-methylpropanamide
PubChem CID143980464
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2,5-dimethylpyridine;3-(3-formamidophenyl)-N-methylpropanamide
SMILESCNC(=O)CCc1cccc(NC=O)c1.Cc1ccc(C)nc1
InChIInChI=1S/C11H14N2O2.C7H9N/c1-12-11(15)6-5-9-3-2-4-10(7-9)13-8-14;1-6-3-4-7(2)8-5-6/h2-4,7-8H,5-6H2,1H3,(H,12,15)(H,13,14);3-5H,1-2H3
InChIKeyCGGCSLXSSKVERG-UHFFFAOYSA-N
XLogP2.63
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2,5-dimethylpyridine;3-(3-formamidophenyl)-N-methylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylpyridine;3-(3-formamidophenyl)-N-methylpropanamide?
The IUPAC name of 2,5-dimethylpyridine;3-(3-formamidophenyl)-N-methylpropanamide (CID 143980464) is 2,5-dimethylpyridine;3-(3-formamidophenyl)-N-methylpropanamide.
What is the SMILES notation for 2,5-dimethylpyridine;3-(3-formamidophenyl)-N-methylpropanamide?
The canonical SMILES for 2,5-dimethylpyridine;3-(3-formamidophenyl)-N-methylpropanamide is CNC(=O)CCc1cccc(NC=O)c1.Cc1ccc(C)nc1.
What is the InChIKey of 2,5-dimethylpyridine;3-(3-formamidophenyl)-N-methylpropanamide?
The InChIKey is CGGCSLXSSKVERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2.C7H9N/c1-12-11(15)6-5-9-3-2-4-10(7-9)13-8-14;1-6-3-4-7(2)8-5-6/h2-4,7-8H,5-6H2,1H3,(H,12,15)(H,13,14);3-5H,1-2H3.
What are the key properties of 2,5-dimethylpyridine;3-(3-formamidophenyl)-N-methylpropanamide?
2,5-dimethylpyridine;3-(3-formamidophenyl)-N-methylpropanamide has a molecular weight of 313.40 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylpyridine;3-(3-formamidophenyl)-N-methylpropanamide is sourced from PubChem (CID 143980464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).