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

C21H20ClN3O2 — CID 109243288

IUPACN-(3-chloro-4-methoxyphenyl)-5-(2,3-dimethylanilino)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cncc(Nc3cccc(C)c3C)c2)cc1Cl
InChIInChI=1S/C21H20ClN3O2/c1-13-5-4-6-19(14(13)2)24-17-9-15(11-23-12-17)21(26)25-16-7-8-20(27-3)18(22)10-16/h4-12,24H,1-3H3,(H,25,26)
InChIKeyFLXLHHOURCHTAD-UHFFFAOYSA-N
MW381.86 g/mol
LogP5.36
Rot. Bonds5

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

N-(3-chloro-4-methoxyphenyl)-5-(2,3-dimethylanilino)pyridine-3-carboxamide (PubChem CID 109243288) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-5-(2,3-dimethylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-5-(2,3-dimethylanilino)pyridine-3-carboxamide
PubChem CID109243288
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC NameN-(3-chloro-4-methoxyphenyl)-5-(2,3-dimethylanilino)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cncc(Nc3cccc(C)c3C)c2)cc1Cl
InChIInChI=1S/C21H20ClN3O2/c1-13-5-4-6-19(14(13)2)24-17-9-15(11-23-12-17)21(26)25-16-7-8-20(27-3)18(22)10-16/h4-12,24H,1-3H3,(H,25,26)
InChIKeyFLXLHHOURCHTAD-UHFFFAOYSA-N
XLogP5.36
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.86
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,3-dimethylanilino)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109243291
5-(2,3-dimethylanilino)-N-(2-methylphenyl)pyridine-3-carboxamide
CID 109241651
N-(4-acetylphenyl)-5-(3-chloro-4-methoxyanilino)pyridine-3-carboxamide
CID 109245028
N-(2,3-dimethylphenyl)-5-(4-methoxyanilino)pyridine-3-carboxamide
CID 109243240
5-(3-chloro-4-methoxyanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 109243447
5-(2,3-dimethylanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109243282
N-(2,3-dimethylphenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242107
N-(4-chlorophenyl)-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide
CID 109244574
N-(2-chlorophenyl)-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109244385
N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide
CID 731708
N-(3-chloro-4-methoxyphenyl)-5-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109234331
5-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109245025

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-(2,3-dimethylanilino)pyridine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-(2,3-dimethylanilino)pyridine-3-carboxamide (CID 109243288) is N-(3-chloro-4-methoxyphenyl)-5-(2,3-dimethylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-5-(2,3-dimethylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-5-(2,3-dimethylanilino)pyridine-3-carboxamide is COc1ccc(NC(=O)c2cncc(Nc3cccc(C)c3C)c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-5-(2,3-dimethylanilino)pyridine-3-carboxamide?
The InChIKey is FLXLHHOURCHTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-13-5-4-6-19(14(13)2)24-17-9-15(11-23-12-17)21(26)25-16-7-8-20(27-3)18(22)10-16/h4-12,24H,1-3H3,(H,25,26).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-5-(2,3-dimethylanilino)pyridine-3-carboxamide?
N-(3-chloro-4-methoxyphenyl)-5-(2,3-dimethylanilino)pyridine-3-carboxamide has a molecular weight of 381.86 g/mol, XLogP of 5.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-5-(2,3-dimethylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109243288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).