2-[(2-chlorophenyl)methylamino]-N-(3,4-dimethoxyphenyl)pyridine-4-carboxamide

C21H20ClN3O3 — CID 109170837

IUPAC2-[(2-chlorophenyl)methylamino]-N-(3,4-dimethoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccnc(NCc3ccccc3Cl)c2)cc1OC
InChIInChI=1S/C21H20ClN3O3/c1-27-18-8-7-16(12-19(18)28-2)25-21(26)14-9-10-23-20(11-14)24-13-15-5-3-4-6-17(15)22/h3-12H,13H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyVYLJOHLJQHBVGF-UHFFFAOYSA-N
MW397.86 g/mol
LogP4.62
Rot. Bonds7

About 2-[(2-chlorophenyl)methylamino]-N-(3,4-dimethoxyphenyl)pyridine-4-carboxamide

2-[(2-chlorophenyl)methylamino]-N-(3,4-dimethoxyphenyl)pyridine-4-carboxamide (PubChem CID 109170837) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylamino]-N-(3,4-dimethoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylamino]-N-(3,4-dimethoxyphenyl)pyridine-4-carboxamide
PubChem CID109170837
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC Name2-[(2-chlorophenyl)methylamino]-N-(3,4-dimethoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccnc(NCc3ccccc3Cl)c2)cc1OC
InChIInChI=1S/C21H20ClN3O3/c1-27-18-8-7-16(12-19(18)28-2)25-21(26)14-9-10-23-20(11-14)24-13-15-5-3-4-6-17(15)22/h3-12H,13H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyVYLJOHLJQHBVGF-UHFFFAOYSA-N
XLogP4.62
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169710
N-(4-chlorophenyl)-2-[(2-chlorophenyl)methylamino]pyridine-4-carboxamide
CID 109170825
N-[(2-chlorophenyl)methyl]-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
CID 109170766
N-(4-chlorophenyl)-2-[(2-methoxyphenyl)methylamino]pyridine-4-carboxamide
CID 109171137
N-(4-acetylphenyl)-2-[(2-chlorophenyl)methylamino]pyridine-4-carboxamide
CID 109170839
N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]-3,4-dimethoxybenzamide
CID 113027190
N-[(2-chlorophenyl)methyl]-2-[(2-chlorophenyl)methylamino]pyridine-4-carboxamide
CID 109170717
2-(butylamino)-N-(3,4-dimethoxyphenyl)pyridine-4-carboxamide
CID 109165609
methyl 3-[[2-[(2-methoxyphenyl)methylamino]pyridine-4-carbonyl]amino]benzoate
CID 109171161
N-(3-chloro-4-fluorophenyl)-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169709
N-(3,4-difluorophenyl)-2-[(3,4-dimethoxyphenyl)methylamino]pyridine-4-carboxamide
CID 109173957
2-[(2-chlorophenyl)methylamino]-N-(2-fluorophenyl)pyridine-4-carboxamide
CID 109170821

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylamino]-N-(3,4-dimethoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-[(2-chlorophenyl)methylamino]-N-(3,4-dimethoxyphenyl)pyridine-4-carboxamide (CID 109170837) is 2-[(2-chlorophenyl)methylamino]-N-(3,4-dimethoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methylamino]-N-(3,4-dimethoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[(2-chlorophenyl)methylamino]-N-(3,4-dimethoxyphenyl)pyridine-4-carboxamide is COc1ccc(NC(=O)c2ccnc(NCc3ccccc3Cl)c2)cc1OC.
What is the InChIKey of 2-[(2-chlorophenyl)methylamino]-N-(3,4-dimethoxyphenyl)pyridine-4-carboxamide?
The InChIKey is VYLJOHLJQHBVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-27-18-8-7-16(12-19(18)28-2)25-21(26)14-9-10-23-20(11-14)24-13-15-5-3-4-6-17(15)22/h3-12H,13H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of 2-[(2-chlorophenyl)methylamino]-N-(3,4-dimethoxyphenyl)pyridine-4-carboxamide?
2-[(2-chlorophenyl)methylamino]-N-(3,4-dimethoxyphenyl)pyridine-4-carboxamide has a molecular weight of 397.86 g/mol, XLogP of 4.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylamino]-N-(3,4-dimethoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109170837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).