N-(2-chloro-3-pyridinyl)-2-(methylamino)benzamide

C13H12ClN3O — CID 61375906

IUPACN-(2-chloro-3-pyridinyl)-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)Nc1cccnc1Cl
InChIInChI=1S/C13H12ClN3O/c1-15-10-6-3-2-5-9(10)13(18)17-11-7-4-8-16-12(11)14/h2-8,15H,1H3,(H,17,18)
InChIKeyLHHAWXWQPZTQJT-UHFFFAOYSA-N
MW261.71 g/mol
LogP3.03
Rot. Bonds3

About N-(2-chloro-3-pyridinyl)-2-(methylamino)benzamide

N-(2-chloro-3-pyridinyl)-2-(methylamino)benzamide (PubChem CID 61375906) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-2-(methylamino)benzamide
PubChem CID61375906
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC NameN-(2-chloro-3-pyridinyl)-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)Nc1cccnc1Cl
InChIInChI=1S/C13H12ClN3O/c1-15-10-6-3-2-5-9(10)13(18)17-11-7-4-8-16-12(11)14/h2-8,15H,1H3,(H,17,18)
InChIKeyLHHAWXWQPZTQJT-UHFFFAOYSA-N
XLogP3.03
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-chloro-3-pyridinyl)-2-(methylamino)benzamide 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

2-acetamido-N-(2-chloro-3-pyridinyl)benzamide
CID 13143772
2-chloro-N-(2-chloro-3-pyridinyl)benzamide
CID 4245221
N-(2-chloro-3-pyridinyl)-2-ethylbenzamide
CID 103817631
N-(2-chloro-3-pyridinyl)-2-fluoro-3-methylbenzamide
CID 80718513
methyl 2-[(2-chloropyridine-3-carbonyl)amino]benzoate
CID 4051547
N-(2-tert-butylphenyl)-2-chloropyridine-3-carboxamide
CID 60628052
2,4-dichloro-N-(2-chloro-3-pyridinyl)benzamide
CID 3454315
2-[[2-(methylamino)benzoyl]amino]benzoic acid
CID 12819847
2-chloro-N-[2-(pyridin-3-ylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 30336522
2-amino-N-(2-chloro-3-pyridinyl)-4-methylbenzamide
CID 14209972
2-bromo-5-chloro-N-(2-chloro-3-pyridinyl)benzamide
CID 113235199
2-chloro-N-(2-chloro-3-pyridinyl)-3-nitrobenzamide
CID 115930967

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-2-(methylamino)benzamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-2-(methylamino)benzamide (CID 61375906) is N-(2-chloro-3-pyridinyl)-2-(methylamino)benzamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-2-(methylamino)benzamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-2-(methylamino)benzamide is CNc1ccccc1C(=O)Nc1cccnc1Cl.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-2-(methylamino)benzamide?
The InChIKey is LHHAWXWQPZTQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c1-15-10-6-3-2-5-9(10)13(18)17-11-7-4-8-16-12(11)14/h2-8,15H,1H3,(H,17,18).
What are the key properties of N-(2-chloro-3-pyridinyl)-2-(methylamino)benzamide?
N-(2-chloro-3-pyridinyl)-2-(methylamino)benzamide has a molecular weight of 261.71 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-2-(methylamino)benzamide is sourced from PubChem (CID 61375906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).