N-(4-acetylphenyl)-1-[(2-chloro-6-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide

C21H16ClFN2O3 — CID 18582644

IUPACN-(4-acetylphenyl)-1-[(2-chloro-6-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(=O)n(Cc3c(F)cccc3Cl)c2)cc1
InChIInChI=1S/C21H16ClFN2O3/c1-13(26)14-5-8-16(9-6-14)24-21(28)15-7-10-20(27)25(11-15)12-17-18(22)3-2-4-19(17)23/h2-11H,12H2,1H3,(H,24,28)
InChIKeyMGQDZMUOILZJNP-UHFFFAOYSA-N
MW398.82 g/mol
LogP4.14
Rot. Bonds5

About N-(4-acetylphenyl)-1-[(2-chloro-6-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide

N-(4-acetylphenyl)-1-[(2-chloro-6-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide (PubChem CID 18582644) has the molecular formula C21H16ClFN2O3 and a molecular weight of 398.82 g/mol. Its IUPAC name is N-(4-acetylphenyl)-1-[(2-chloro-6-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-1-[(2-chloro-6-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
PubChem CID18582644
Molecular FormulaC21H16ClFN2O3
Molecular Weight398.82 g/mol
Exact Mass398.08
IUPAC NameN-(4-acetylphenyl)-1-[(2-chloro-6-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(=O)n(Cc3c(F)cccc3Cl)c2)cc1
InChIInChI=1S/C21H16ClFN2O3/c1-13(26)14-5-8-16(9-6-14)24-21(28)15-7-10-20(27)25(11-15)12-17-18(22)3-2-4-19(17)23/h2-11H,12H2,1H3,(H,24,28)
InChIKeyMGQDZMUOILZJNP-UHFFFAOYSA-N
XLogP4.14
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.82
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-ethylphenyl)-6-oxopyridine-3-carboxamide
CID 26843899
N-(4-acetylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671146
N-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 3731074
1-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-6-oxo-N-phenylpyridine-3-carboxamide
CID 8671332
N-(3-chloro-4-fluorophenyl)-1-[(3-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8697484
N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 26843818
N-(4-acetamidophenyl)-1-[(3-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8697563
1-[(2-chlorophenyl)methyl]-6-oxo-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 8671405
N-(2-chlorophenyl)-1-[(2-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 26844026
1-[(3-chlorophenyl)methyl]-N-(3,4-difluorophenyl)-6-oxopyridine-3-carboxamide
CID 26844102
1-[(2,6-dichlorophenyl)methyl]-6-oxo-N-prop-2-enylpyridine-3-carboxamide
CID 3564299
1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)-6-oxopyridine-3-carboxamide
CID 26844078

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-1-[(2-chloro-6-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-1-[(2-chloro-6-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide (CID 18582644) is N-(4-acetylphenyl)-1-[(2-chloro-6-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-1-[(2-chloro-6-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-1-[(2-chloro-6-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide is CC(=O)c1ccc(NC(=O)c2ccc(=O)n(Cc3c(F)cccc3Cl)c2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-1-[(2-chloro-6-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide?
The InChIKey is MGQDZMUOILZJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN2O3/c1-13(26)14-5-8-16(9-6-14)24-21(28)15-7-10-20(27)25(11-15)12-17-18(22)3-2-4-19(17)23/h2-11H,12H2,1H3,(H,24,28).
What are the key properties of N-(4-acetylphenyl)-1-[(2-chloro-6-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide?
N-(4-acetylphenyl)-1-[(2-chloro-6-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide has a molecular weight of 398.82 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-1-[(2-chloro-6-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 18582644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).