1-[(4-chlorophenyl)methyl]-6-ethyl-2-methyl-4-oxo-N-phenylpyridine-3-carboxamide

C22H21ClN2O2 — CID 23040296

IUPAC1-[(4-chlorophenyl)methyl]-6-ethyl-2-methyl-4-oxo-N-phenylpyridine-3-carboxamide
SMILESCCc1cc(=O)c(C(=O)Nc2ccccc2)c(C)n1Cc1ccc(Cl)cc1
InChIInChI=1S/C22H21ClN2O2/c1-3-19-13-20(26)21(22(27)24-18-7-5-4-6-8-18)15(2)25(19)14-16-9-11-17(23)12-10-16/h4-13H,3,14H2,1-2H3,(H,24,27)
InChIKeyZMYNIHWEWARPHU-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.67
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-6-ethyl-2-methyl-4-oxo-N-phenylpyridine-3-carboxamide

1-[(4-chlorophenyl)methyl]-6-ethyl-2-methyl-4-oxo-N-phenylpyridine-3-carboxamide (PubChem CID 23040296) has the molecular formula C22H21ClN2O2 and a molecular weight of 380.88 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-6-ethyl-2-methyl-4-oxo-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-6-ethyl-2-methyl-4-oxo-N-phenylpyridine-3-carboxamide
PubChem CID23040296
Molecular FormulaC22H21ClN2O2
Molecular Weight380.88 g/mol
Exact Mass380.13
IUPAC Name1-[(4-chlorophenyl)methyl]-6-ethyl-2-methyl-4-oxo-N-phenylpyridine-3-carboxamide
SMILESCCc1cc(=O)c(C(=O)Nc2ccccc2)c(C)n1Cc1ccc(Cl)cc1
InChIInChI=1S/C22H21ClN2O2/c1-3-19-13-20(26)21(22(27)24-18-7-5-4-6-8-18)15(2)25(19)14-16-9-11-17(23)12-10-16/h4-13H,3,14H2,1-2H3,(H,24,27)
InChIKeyZMYNIHWEWARPHU-UHFFFAOYSA-N
XLogP4.67
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-6-ethyl-2-methyl-4-oxo-N-phenylpyridine-3-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-6-ethyl-2-methyl-4-oxo-N-phenylpyridine-3-carboxamide (CID 23040296) is 1-[(4-chlorophenyl)methyl]-6-ethyl-2-methyl-4-oxo-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-6-ethyl-2-methyl-4-oxo-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-6-ethyl-2-methyl-4-oxo-N-phenylpyridine-3-carboxamide is CCc1cc(=O)c(C(=O)Nc2ccccc2)c(C)n1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-6-ethyl-2-methyl-4-oxo-N-phenylpyridine-3-carboxamide?
The InChIKey is ZMYNIHWEWARPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O2/c1-3-19-13-20(26)21(22(27)24-18-7-5-4-6-8-18)15(2)25(19)14-16-9-11-17(23)12-10-16/h4-13H,3,14H2,1-2H3,(H,24,27).
What are the key properties of 1-[(4-chlorophenyl)methyl]-6-ethyl-2-methyl-4-oxo-N-phenylpyridine-3-carboxamide?
1-[(4-chlorophenyl)methyl]-6-ethyl-2-methyl-4-oxo-N-phenylpyridine-3-carboxamide has a molecular weight of 380.88 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-6-ethyl-2-methyl-4-oxo-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 23040296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).