5-(4-chloroanilino)-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide

C19H15Cl2N3O2 — CID 109244615

IUPAC5-(4-chloroanilino)-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cncc(Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H15Cl2N3O2/c1-26-18-7-4-14(21)9-17(18)24-19(25)12-8-16(11-22-10-12)23-15-5-2-13(20)3-6-15/h2-11,23H,1H3,(H,24,25)
InChIKeyGRWHUVIJQXLARV-UHFFFAOYSA-N
MW388.25 g/mol
LogP5.39
Rot. Bonds5

About 5-(4-chloroanilino)-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide

5-(4-chloroanilino)-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide (PubChem CID 109244615) has the molecular formula C19H15Cl2N3O2 and a molecular weight of 388.25 g/mol. Its IUPAC name is 5-(4-chloroanilino)-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chloroanilino)-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide
PubChem CID109244615
Molecular FormulaC19H15Cl2N3O2
Molecular Weight388.25 g/mol
Exact Mass387.05
IUPAC Name5-(4-chloroanilino)-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cncc(Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H15Cl2N3O2/c1-26-18-7-4-14(21)9-17(18)24-19(25)12-8-16(11-22-10-12)23-15-5-2-13(20)3-6-15/h2-11,23H,1H3,(H,24,25)
InChIKeyGRWHUVIJQXLARV-UHFFFAOYSA-N
XLogP5.39
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.25
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-chloro-2-methoxyanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109245063
N-(4-chlorophenyl)-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide
CID 109244574
5-N-(5-chloro-2-methoxyphenyl)-3-N-(4-fluorophenyl)pyridine-3,5-dicarboxamide
CID 109108726
N-(2,4-dichlorophenyl)-5-(4-methoxyanilino)pyridine-3-carboxamide
CID 109245369
N-(5-chloro-2-methylphenyl)-5-(2-methoxyanilino)pyridine-3-carboxamide
CID 109244720
N-(2-methoxy-5-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109243868
N-(5-chloro-2-methoxyphenyl)-5-(cyclopentylamino)pyridine-3-carboxamide
CID 109226185
N-(5-chloro-2-methoxyphenyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109240172
5-N-tert-butyl-3-N-(5-chloro-2-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109106946
5-(5-chloro-2-methoxyanilino)-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 109245070
N-(2-methoxyphenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242131
N-(2-chlorophenyl)-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109244385

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloroanilino)-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(4-chloroanilino)-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide (CID 109244615) is 5-(4-chloroanilino)-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chloroanilino)-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-chloroanilino)-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide is COc1ccc(Cl)cc1NC(=O)c1cncc(Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 5-(4-chloroanilino)-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide?
The InChIKey is GRWHUVIJQXLARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O2/c1-26-18-7-4-14(21)9-17(18)24-19(25)12-8-16(11-22-10-12)23-15-5-2-13(20)3-6-15/h2-11,23H,1H3,(H,24,25).
What are the key properties of 5-(4-chloroanilino)-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide?
5-(4-chloroanilino)-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide has a molecular weight of 388.25 g/mol, XLogP of 5.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloroanilino)-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109244615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).