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

C21H18ClFN2O2 — CID 26843899

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-ethylphenyl)-6-oxopyridine-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1ccc(=O)n(Cc2c(F)cccc2Cl)c1
InChIInChI=1S/C21H18ClFN2O2/c1-2-14-6-3-4-9-19(14)24-21(27)15-10-11-20(26)25(12-15)13-16-17(22)7-5-8-18(16)23/h3-12H,2,13H2,1H3,(H,24,27)
InChIKeyDJQIBLCQDDKIRJ-UHFFFAOYSA-N
MW384.84 g/mol
LogP4.50
Rot. Bonds5

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

1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-ethylphenyl)-6-oxopyridine-3-carboxamide (PubChem CID 26843899) has the molecular formula C21H18ClFN2O2 and a molecular weight of 384.84 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-ethylphenyl)-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-ethylphenyl)-6-oxopyridine-3-carboxamide
PubChem CID26843899
Molecular FormulaC21H18ClFN2O2
Molecular Weight384.84 g/mol
Exact Mass384.10
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-ethylphenyl)-6-oxopyridine-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1ccc(=O)n(Cc2c(F)cccc2Cl)c1
InChIInChI=1S/C21H18ClFN2O2/c1-2-14-6-3-4-9-19(14)24-21(27)15-10-11-20(26)25(12-15)13-16-17(22)7-5-8-18(16)23/h3-12H,2,13H2,1H3,(H,24,27)
InChIKeyDJQIBLCQDDKIRJ-UHFFFAOYSA-N
XLogP4.50
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.84
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylphenyl)-1-[(2-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 26844020
N-(2-chlorophenyl)-1-[(2-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 26844026
N-(4-acetylphenyl)-1-[(2-chloro-6-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 18582644
N-(2-ethylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671048
1-benzyl-N-(2-fluorophenyl)-6-oxopyridine-3-carboxamide
CID 8670963
1-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-6-oxo-N-phenylpyridine-3-carboxamide
CID 8671332
2-(2-chloro-6-fluorophenyl)-N-(2-ethylphenyl)acetamide
CID 839109
1-[(2-chlorophenyl)methyl]-N-(2-methoxyphenyl)-6-oxopyridine-3-carboxamide
CID 8671416
1-[(2-chlorophenyl)methyl]-N-(3-iodophenyl)-6-oxopyridine-3-carboxamide
CID 24559544
N-(2,4-difluorophenyl)-1-[(2-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671220
N-(2,4-difluorophenyl)-1-(naphthalen-1-ylmethyl)-6-oxopyridine-3-carboxamide
CID 8698180
1-[(2-chlorophenyl)methyl]-N-(4,5-dimethoxy-2-methylphenyl)-6-oxopyridine-3-carboxamide
CID 24559729

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-ethylphenyl)-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-ethylphenyl)-6-oxopyridine-3-carboxamide (CID 26843899) is 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-ethylphenyl)-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-ethylphenyl)-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-ethylphenyl)-6-oxopyridine-3-carboxamide is CCc1ccccc1NC(=O)c1ccc(=O)n(Cc2c(F)cccc2Cl)c1.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-ethylphenyl)-6-oxopyridine-3-carboxamide?
The InChIKey is DJQIBLCQDDKIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN2O2/c1-2-14-6-3-4-9-19(14)24-21(27)15-10-11-20(26)25(12-15)13-16-17(22)7-5-8-18(16)23/h3-12H,2,13H2,1H3,(H,24,27).
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-ethylphenyl)-6-oxopyridine-3-carboxamide?
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-ethylphenyl)-6-oxopyridine-3-carboxamide has a molecular weight of 384.84 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-ethylphenyl)-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 26843899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).