N-(2-amino-6-anilino-3-pyridinyl)-6-chloropyridine-3-carboxamide

C17H14ClN5O — CID 110177262

IUPACN-(2-amino-6-anilino-3-pyridinyl)-6-chloropyridine-3-carboxamide
SMILESNc1nc(Nc2ccccc2)ccc1NC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C17H14ClN5O/c18-14-8-6-11(10-20-14)17(24)22-13-7-9-15(23-16(13)19)21-12-4-2-1-3-5-12/h1-10H,(H,22,24)(H3,19,21,23)
InChIKeyXLGWJYWRDJLIER-UHFFFAOYSA-N
MW339.79 g/mol
LogP3.71
Rot. Bonds4

About N-(2-amino-6-anilino-3-pyridinyl)-6-chloropyridine-3-carboxamide

N-(2-amino-6-anilino-3-pyridinyl)-6-chloropyridine-3-carboxamide (PubChem CID 110177262) has the molecular formula C17H14ClN5O and a molecular weight of 339.79 g/mol. Its IUPAC name is N-(2-amino-6-anilino-3-pyridinyl)-6-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-6-anilino-3-pyridinyl)-6-chloropyridine-3-carboxamide
PubChem CID110177262
Molecular FormulaC17H14ClN5O
Molecular Weight339.79 g/mol
Exact Mass339.09
IUPAC NameN-(2-amino-6-anilino-3-pyridinyl)-6-chloropyridine-3-carboxamide
SMILESNc1nc(Nc2ccccc2)ccc1NC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C17H14ClN5O/c18-14-8-6-11(10-20-14)17(24)22-13-7-9-15(23-16(13)19)21-12-4-2-1-3-5-12/h1-10H,(H,22,24)(H3,19,21,23)
InChIKeyXLGWJYWRDJLIER-UHFFFAOYSA-N
XLogP3.71
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.79
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-amino-6-anilino-3-pyridinyl)-6-chloropyridine-3-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

6-anilino-N-(2,3-dichlorophenyl)pyridine-3-carboxamide
CID 109162098
6-chloro-N-(2-methylphenyl)pyridine-3-carboxamide
CID 2599141
6-(3,5-dichloroanilino)-N-phenylpyridine-3-carboxamide
CID 109162127
6-chloro-N-[2-(hydroxymethyl)phenyl]pyridine-3-carboxamide
CID 60655184
methyl 2-[(6-chloropyridine-3-carbonyl)amino]benzoate
CID 18273877
6-anilino-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109162076
2-[(6-chloropyridine-3-carbonyl)amino]-4-phenylbenzoic acid
CID 87408033
6-anilino-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 109162100
6-chloro-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 36661694
6-chloro-N-(2-chloropyrimidin-5-yl)pyridine-3-carboxamide
CID 10125350
6-chloro-N-quinolin-3-ylpyridine-3-carboxamide
CID 29330391
N-(2-anilinophenyl)-6-bromopyridine-3-carboxamide
CID 89461171

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-anilino-3-pyridinyl)-6-chloropyridine-3-carboxamide?
The IUPAC name of N-(2-amino-6-anilino-3-pyridinyl)-6-chloropyridine-3-carboxamide (CID 110177262) is N-(2-amino-6-anilino-3-pyridinyl)-6-chloropyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-6-anilino-3-pyridinyl)-6-chloropyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-6-anilino-3-pyridinyl)-6-chloropyridine-3-carboxamide is Nc1nc(Nc2ccccc2)ccc1NC(=O)c1ccc(Cl)nc1.
What is the InChIKey of N-(2-amino-6-anilino-3-pyridinyl)-6-chloropyridine-3-carboxamide?
The InChIKey is XLGWJYWRDJLIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O/c18-14-8-6-11(10-20-14)17(24)22-13-7-9-15(23-16(13)19)21-12-4-2-1-3-5-12/h1-10H,(H,22,24)(H3,19,21,23).
What are the key properties of N-(2-amino-6-anilino-3-pyridinyl)-6-chloropyridine-3-carboxamide?
N-(2-amino-6-anilino-3-pyridinyl)-6-chloropyridine-3-carboxamide has a molecular weight of 339.79 g/mol, XLogP of 3.71, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-anilino-3-pyridinyl)-6-chloropyridine-3-carboxamide is sourced from PubChem (CID 110177262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).