5-[(4-chlorophenyl)methylamino]-N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide

C21H20ClN3O3 — CID 109234136

IUPAC5-[(4-chlorophenyl)methylamino]-N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cncc(NCc3ccc(Cl)cc3)c2)c1
InChIInChI=1S/C21H20ClN3O3/c1-27-18-7-8-20(28-2)19(10-18)25-21(26)15-9-17(13-23-12-15)24-11-14-3-5-16(22)6-4-14/h3-10,12-13,24H,11H2,1-2H3,(H,25,26)
InChIKeyBJOKGCLVLVYKCW-UHFFFAOYSA-N
MW397.86 g/mol
LogP4.62
Rot. Bonds7

About 5-[(4-chlorophenyl)methylamino]-N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide

5-[(4-chlorophenyl)methylamino]-N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide (PubChem CID 109234136) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methylamino]-N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methylamino]-N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide
PubChem CID109234136
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC Name5-[(4-chlorophenyl)methylamino]-N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cncc(NCc3ccc(Cl)cc3)c2)c1
InChIInChI=1S/C21H20ClN3O3/c1-27-18-7-8-20(28-2)19(10-18)25-21(26)15-9-17(13-23-12-15)24-11-14-3-5-16(22)6-4-14/h3-10,12-13,24H,11H2,1-2H3,(H,25,26)
InChIKeyBJOKGCLVLVYKCW-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-(2-methoxy-5-methylphenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109234541
N-(2,5-dimethoxyphenyl)-5-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109234341
N-(2,5-dimethoxyphenyl)-5-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109228308
N-(2,5-dimethoxyphenyl)-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232174
N-(2,5-dimethoxyphenyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109240183
N-(2,5-dimethoxyphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109239954
N-(2,5-dimethoxyphenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190528
N-(5-chloro-2-methoxyphenyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109240172
5-(benzylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 109231933
N-(2,4-difluorophenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109234559
methyl 4-[[5-[(4-chlorophenyl)methylamino]pyridine-3-carbonyl]amino]benzoate
CID 109234145
5-(4-chloroanilino)-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide
CID 109244615

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methylamino]-N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-[(4-chlorophenyl)methylamino]-N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide (CID 109234136) is 5-[(4-chlorophenyl)methylamino]-N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[(4-chlorophenyl)methylamino]-N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-[(4-chlorophenyl)methylamino]-N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide is COc1ccc(OC)c(NC(=O)c2cncc(NCc3ccc(Cl)cc3)c2)c1.
What is the InChIKey of 5-[(4-chlorophenyl)methylamino]-N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide?
The InChIKey is BJOKGCLVLVYKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-27-18-7-8-20(28-2)19(10-18)25-21(26)15-9-17(13-23-12-15)24-11-14-3-5-16(22)6-4-14/h3-10,12-13,24H,11H2,1-2H3,(H,25,26).
What are the key properties of 5-[(4-chlorophenyl)methylamino]-N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide?
5-[(4-chlorophenyl)methylamino]-N-(2,5-dimethoxyphenyl)pyridine-3-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 5-[(4-chlorophenyl)methylamino]-N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109234136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).