1-[(2-chlorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxamide

C22H21ClN2O4 — CID 16573885

IUPAC1-[(2-chlorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)cc1OC
InChIInChI=1S/C22H21ClN2O4/c1-28-19-9-7-15(11-20(19)29-2)12-24-22(27)17-8-10-21(26)25(14-17)13-16-5-3-4-6-18(16)23/h3-11,14H,12-13H2,1-2H3,(H,24,27)
InChIKeyXSKQTVHMFAXZMQ-UHFFFAOYSA-N
MW412.87 g/mol
LogP3.50
Rot. Bonds7

About 1-[(2-chlorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxamide

1-[(2-chlorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxamide (PubChem CID 16573885) has the molecular formula C22H21ClN2O4 and a molecular weight of 412.87 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxamide
PubChem CID16573885
Molecular FormulaC22H21ClN2O4
Molecular Weight412.87 g/mol
Exact Mass412.12
IUPAC Name1-[(2-chlorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)cc1OC
InChIInChI=1S/C22H21ClN2O4/c1-28-19-9-7-15(11-20(19)29-2)12-24-22(27)17-8-10-21(26)25(14-17)13-16-5-3-4-6-18(16)23/h3-11,14H,12-13H2,1-2H3,(H,24,27)
InChIKeyXSKQTVHMFAXZMQ-UHFFFAOYSA-N
XLogP3.50
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.87
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-chlorophenyl)methyl]-N-(4,5-dimethoxy-2-methylphenyl)-6-oxopyridine-3-carboxamide
CID 24559729
1-[(2-chlorophenyl)methyl]-N-(2-methoxyphenyl)-6-oxopyridine-3-carboxamide
CID 8671416
2-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 9242490
1-[(2-chlorophenyl)methyl]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-6-oxopyridine-3-carboxamide
CID 112842807
1-[(2-chlorophenyl)methyl]-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-6-oxopyridine-3-carboxamide
CID 16574268
1-[(2-chlorophenyl)methyl]-6-oxo-N-(2-phenylethyl)pyridine-3-carboxamide
CID 16573910
1-[(2-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-N-methyl-6-oxopyridine-3-carboxamide
CID 31234686
N-(3,4-dimethoxyphenyl)-1-(naphthalen-1-ylmethyl)-6-oxopyridine-3-carboxamide
CID 8698205
1-[(2-chlorophenyl)methyl]-N-[2-(methylamino)propyl]-6-oxopyridine-3-carboxamide
CID 120827036
methyl 1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylate
CID 10638143
N'-benzoyl-1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbohydrazide
CID 24546266
methyl 1-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxylate
CID 17452795

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxamide (CID 16573885) is 1-[(2-chlorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxamide is COc1ccc(CNC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)cc1OC.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxamide?
The InChIKey is XSKQTVHMFAXZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O4/c1-28-19-9-7-15(11-20(19)29-2)12-24-22(27)17-8-10-21(26)25(14-17)13-16-5-3-4-6-18(16)23/h3-11,14H,12-13H2,1-2H3,(H,24,27).
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxamide?
1-[(2-chlorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxamide has a molecular weight of 412.87 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 16573885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).