2-chloro-N,3-dimethyl-N-phenylpyridine-4-carboxamide

C14H13ClN2O — CID 15075716

IUPAC2-chloro-N,3-dimethyl-N-phenylpyridine-4-carboxamide
SMILESCc1c(C(=O)N(C)c2ccccc2)ccnc1Cl
InChIInChI=1S/C14H13ClN2O/c1-10-12(8-9-16-13(10)15)14(18)17(2)11-6-4-3-5-7-11/h3-9H,1-2H3
InChIKeyGYLIQEMRUQOVEK-UHFFFAOYSA-N
MW260.72 g/mol
LogP3.32
Rot. Bonds2

About 2-chloro-N,3-dimethyl-N-phenylpyridine-4-carboxamide

2-chloro-N,3-dimethyl-N-phenylpyridine-4-carboxamide (PubChem CID 15075716) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is 2-chloro-N,3-dimethyl-N-phenylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N,3-dimethyl-N-phenylpyridine-4-carboxamide
PubChem CID15075716
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC Name2-chloro-N,3-dimethyl-N-phenylpyridine-4-carboxamide
SMILESCc1c(C(=O)N(C)c2ccccc2)ccnc1Cl
InChIInChI=1S/C14H13ClN2O/c1-10-12(8-9-16-13(10)15)14(18)17(2)11-6-4-3-5-7-11/h3-9H,1-2H3
InChIKeyGYLIQEMRUQOVEK-UHFFFAOYSA-N
XLogP3.32
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-N,3-dimethyl-N-phenylpyridine-4-carboxamide 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,2,3-trimethyl-N-phenylpyridine-4-carboxamide
CID 110856944
3-chloro-N-methyl-N-phenylpyridine-4-carboxamide
CID 66463019
2-chloro-N-methyl-N-pyridin-4-ylpyridine-3-carboxamide
CID 106934859
N,2-dimethyl-N-phenylbenzamide
CID 5222383
2-chloro-N-methyl-3-nitro-N-pyridin-4-ylpyridine-4-carboxamide
CID 106934906
3-amino-2-chloro-N-methyl-N-phenylbenzamide
CID 112574015
4-chloro-2-fluoro-N-methyl-N-phenylbenzamide
CID 56919945
5-chloro-N-methyl-2-(methylamino)-N-phenylbenzamide
CID 55042648
3-hydroxy-N-methyl-N-phenylpyridine-2-carboxamide
CID 60923476
3-(2-chloro-4-pyridinyl)-1-methyl-1-phenylurea
CID 134114152
3-chloro-2-(N-methylanilino)pyridine-4-carboxylic acid
CID 107062181
2-anilino-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109313399

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,3-dimethyl-N-phenylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N,3-dimethyl-N-phenylpyridine-4-carboxamide (CID 15075716) is 2-chloro-N,3-dimethyl-N-phenylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N,3-dimethyl-N-phenylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N,3-dimethyl-N-phenylpyridine-4-carboxamide is Cc1c(C(=O)N(C)c2ccccc2)ccnc1Cl.
What is the InChIKey of 2-chloro-N,3-dimethyl-N-phenylpyridine-4-carboxamide?
The InChIKey is GYLIQEMRUQOVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c1-10-12(8-9-16-13(10)15)14(18)17(2)11-6-4-3-5-7-11/h3-9H,1-2H3.
What are the key properties of 2-chloro-N,3-dimethyl-N-phenylpyridine-4-carboxamide?
2-chloro-N,3-dimethyl-N-phenylpyridine-4-carboxamide has a molecular weight of 260.72 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,3-dimethyl-N-phenylpyridine-4-carboxamide is sourced from PubChem (CID 15075716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).