1-benzyl-2-butyl-6-ethyl-4-oxo-N-phenylpyridine-3-carboxamide

C25H28N2O2 — CID 23040376

IUPAC1-benzyl-2-butyl-6-ethyl-4-oxo-N-phenylpyridine-3-carboxamide
SMILESCCCCc1c(C(=O)Nc2ccccc2)c(=O)cc(CC)n1Cc1ccccc1
InChIInChI=1S/C25H28N2O2/c1-3-5-16-22-24(25(29)26-20-14-10-7-11-15-20)23(28)17-21(4-2)27(22)18-19-12-8-6-9-13-19/h6-15,17H,3-5,16,18H2,1-2H3,(H,26,29)
InChIKeyZCSHELIKZPPJEY-UHFFFAOYSA-N
MW388.51 g/mol
LogP5.05
Rot. Bonds8

About 1-benzyl-2-butyl-6-ethyl-4-oxo-N-phenylpyridine-3-carboxamide

1-benzyl-2-butyl-6-ethyl-4-oxo-N-phenylpyridine-3-carboxamide (PubChem CID 23040376) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 1-benzyl-2-butyl-6-ethyl-4-oxo-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-2-butyl-6-ethyl-4-oxo-N-phenylpyridine-3-carboxamide
PubChem CID23040376
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name1-benzyl-2-butyl-6-ethyl-4-oxo-N-phenylpyridine-3-carboxamide
SMILESCCCCc1c(C(=O)Nc2ccccc2)c(=O)cc(CC)n1Cc1ccccc1
InChIInChI=1S/C25H28N2O2/c1-3-5-16-22-24(25(29)26-20-14-10-7-11-15-20)23(28)17-21(4-2)27(22)18-19-12-8-6-9-13-19/h6-15,17H,3-5,16,18H2,1-2H3,(H,26,29)
InChIKeyZCSHELIKZPPJEY-UHFFFAOYSA-N
XLogP5.05
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-butyl-6-ethyl-4-oxo-N-phenylpyridine-3-carboxamide?
The IUPAC name of 1-benzyl-2-butyl-6-ethyl-4-oxo-N-phenylpyridine-3-carboxamide (CID 23040376) is 1-benzyl-2-butyl-6-ethyl-4-oxo-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-2-butyl-6-ethyl-4-oxo-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-2-butyl-6-ethyl-4-oxo-N-phenylpyridine-3-carboxamide is CCCCc1c(C(=O)Nc2ccccc2)c(=O)cc(CC)n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-butyl-6-ethyl-4-oxo-N-phenylpyridine-3-carboxamide?
The InChIKey is ZCSHELIKZPPJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-3-5-16-22-24(25(29)26-20-14-10-7-11-15-20)23(28)17-21(4-2)27(22)18-19-12-8-6-9-13-19/h6-15,17H,3-5,16,18H2,1-2H3,(H,26,29).
What are the key properties of 1-benzyl-2-butyl-6-ethyl-4-oxo-N-phenylpyridine-3-carboxamide?
1-benzyl-2-butyl-6-ethyl-4-oxo-N-phenylpyridine-3-carboxamide has a molecular weight of 388.51 g/mol, XLogP of 5.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-butyl-6-ethyl-4-oxo-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 23040376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).