N-(3-chloro-4-fluorophenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide

C21H18ClFN2O4 — CID 7599387

IUPACN-(3-chloro-4-fluorophenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCOc1cc(Cn2cccc(C(=O)Nc3ccc(F)c(Cl)c3)c2=O)cc(OC)c1
InChIInChI=1S/C21H18ClFN2O4/c1-28-15-8-13(9-16(11-15)29-2)12-25-7-3-4-17(21(25)27)20(26)24-14-5-6-19(23)18(22)10-14/h3-11H,12H2,1-2H3,(H,24,26)
InChIKeyOJUUMERHQBYAFO-UHFFFAOYSA-N
MW416.84 g/mol
LogP3.96
Rot. Bonds6

About N-(3-chloro-4-fluorophenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide

N-(3-chloro-4-fluorophenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 7599387) has the molecular formula C21H18ClFN2O4 and a molecular weight of 416.84 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
PubChem CID7599387
Molecular FormulaC21H18ClFN2O4
Molecular Weight416.84 g/mol
Exact Mass416.09
IUPAC NameN-(3-chloro-4-fluorophenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCOc1cc(Cn2cccc(C(=O)Nc3ccc(F)c(Cl)c3)c2=O)cc(OC)c1
InChIInChI=1S/C21H18ClFN2O4/c1-28-15-8-13(9-16(11-15)29-2)12-25-7-3-4-17(21(25)27)20(26)24-14-5-6-19(23)18(22)10-14/h3-11H,12H2,1-2H3,(H,24,26)
InChIKeyOJUUMERHQBYAFO-UHFFFAOYSA-N
XLogP3.96
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.84
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-2-oxopyridine-3-carboxamide
CID 7597717
N-(2,4-difluorophenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599382
N-(3-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110382923
1-[(4-chlorophenyl)methyl]-N-(3,4-dimethoxyphenyl)-2-oxopyridine-3-carboxamide
CID 1483550
1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)-2-oxopyridine-3-carboxamide
CID 3774896
1-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 7598014
N-(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110382606
1-[(4-chlorophenyl)methyl]-N-(3,4-dimethylphenyl)-2-oxopyridine-3-carboxamide
CID 7598067
N-(2-carbamoylphenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599441
1-[(2-chloro-6-fluorophenyl)methyl]-N-(3,4-difluorophenyl)-2-oxopyridine-3-carboxamide
CID 7598199
1-[(2-chloro-6-fluorophenyl)methyl]-N-(3-chloro-4-methylphenyl)-2-oxopyridine-3-carboxamide
CID 7598223
1-[(3-chlorophenyl)methyl]-N-(3,4-dichlorophenyl)-2-oxopyridine-3-carboxamide
CID 8670922

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide (CID 7599387) is N-(3-chloro-4-fluorophenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide is COc1cc(Cn2cccc(C(=O)Nc3ccc(F)c(Cl)c3)c2=O)cc(OC)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is OJUUMERHQBYAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN2O4/c1-28-15-8-13(9-16(11-15)29-2)12-25-7-3-4-17(21(25)27)20(26)24-14-5-6-19(23)18(22)10-14/h3-11H,12H2,1-2H3,(H,24,26).
What are the key properties of N-(3-chloro-4-fluorophenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide?
N-(3-chloro-4-fluorophenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 416.84 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 7599387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).