1-[(4-chlorophenyl)methyl]-6-ethyl-N,5-dimethyl-2-oxopyridine-3-carboxamide

C17H19ClN2O2 — CID 71179344

IUPAC1-[(4-chlorophenyl)methyl]-6-ethyl-N,5-dimethyl-2-oxopyridine-3-carboxamide
SMILESCCc1c(C)cc(C(=O)NC)c(=O)n1Cc1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O2/c1-4-15-11(2)9-14(16(21)19-3)17(22)20(15)10-12-5-7-13(18)8-6-12/h5-9H,4,10H2,1-3H3,(H,19,21)
InChIKeyVAFBNOZUWQFUSC-UHFFFAOYSA-N
MW318.80 g/mol
LogP2.78
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-6-ethyl-N,5-dimethyl-2-oxopyridine-3-carboxamide

1-[(4-chlorophenyl)methyl]-6-ethyl-N,5-dimethyl-2-oxopyridine-3-carboxamide (PubChem CID 71179344) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-6-ethyl-N,5-dimethyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-6-ethyl-N,5-dimethyl-2-oxopyridine-3-carboxamide
PubChem CID71179344
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name1-[(4-chlorophenyl)methyl]-6-ethyl-N,5-dimethyl-2-oxopyridine-3-carboxamide
SMILESCCc1c(C)cc(C(=O)NC)c(=O)n1Cc1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O2/c1-4-15-11(2)9-14(16(21)19-3)17(22)20(15)10-12-5-7-13(18)8-6-12/h5-9H,4,10H2,1-3H3,(H,19,21)
InChIKeyVAFBNOZUWQFUSC-UHFFFAOYSA-N
XLogP2.78
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 52.78
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-N,5-dimethyl-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-6-ethyl-N,5-dimethyl-2-oxopyridine-3-carboxamide (CID 71179344) is 1-[(4-chlorophenyl)methyl]-6-ethyl-N,5-dimethyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-6-ethyl-N,5-dimethyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-6-ethyl-N,5-dimethyl-2-oxopyridine-3-carboxamide is CCc1c(C)cc(C(=O)NC)c(=O)n1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-6-ethyl-N,5-dimethyl-2-oxopyridine-3-carboxamide?
The InChIKey is VAFBNOZUWQFUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-4-15-11(2)9-14(16(21)19-3)17(22)20(15)10-12-5-7-13(18)8-6-12/h5-9H,4,10H2,1-3H3,(H,19,21).
What are the key properties of 1-[(4-chlorophenyl)methyl]-6-ethyl-N,5-dimethyl-2-oxopyridine-3-carboxamide?
1-[(4-chlorophenyl)methyl]-6-ethyl-N,5-dimethyl-2-oxopyridine-3-carboxamide has a molecular weight of 318.80 g/mol, XLogP of 2.78, 4 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-N,5-dimethyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 71179344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).