1-benzyl-N-(2,6-diethylphenyl)-6-ethyl-2,5-dimethyl-4-oxopyridine-3-carboxamide

C27H32N2O2 — CID 23040375

IUPAC1-benzyl-N-(2,6-diethylphenyl)-6-ethyl-2,5-dimethyl-4-oxopyridine-3-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1c(C)n(Cc2ccccc2)c(CC)c(C)c1=O
InChIInChI=1S/C27H32N2O2/c1-6-21-15-12-16-22(7-2)25(21)28-27(31)24-19(5)29(17-20-13-10-9-11-14-20)23(8-3)18(4)26(24)30/h9-16H,6-8,17H2,1-5H3,(H,28,31)
InChIKeyHWQAVYSATOQTKW-UHFFFAOYSA-N
MW416.57 g/mol
LogP5.45
Rot. Bonds7

About 1-benzyl-N-(2,6-diethylphenyl)-6-ethyl-2,5-dimethyl-4-oxopyridine-3-carboxamide

1-benzyl-N-(2,6-diethylphenyl)-6-ethyl-2,5-dimethyl-4-oxopyridine-3-carboxamide (PubChem CID 23040375) has the molecular formula C27H32N2O2 and a molecular weight of 416.57 g/mol. Its IUPAC name is 1-benzyl-N-(2,6-diethylphenyl)-6-ethyl-2,5-dimethyl-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2,6-diethylphenyl)-6-ethyl-2,5-dimethyl-4-oxopyridine-3-carboxamide
PubChem CID23040375
Molecular FormulaC27H32N2O2
Molecular Weight416.57 g/mol
Exact Mass416.25
IUPAC Name1-benzyl-N-(2,6-diethylphenyl)-6-ethyl-2,5-dimethyl-4-oxopyridine-3-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1c(C)n(Cc2ccccc2)c(CC)c(C)c1=O
InChIInChI=1S/C27H32N2O2/c1-6-21-15-12-16-22(7-2)25(21)28-27(31)24-19(5)29(17-20-13-10-9-11-14-20)23(8-3)18(4)26(24)30/h9-16H,6-8,17H2,1-5H3,(H,28,31)
InChIKeyHWQAVYSATOQTKW-UHFFFAOYSA-N
XLogP5.45
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.57
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2,6-diethylphenyl)-6-ethyl-2,5-dimethyl-4-oxopyridine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(2,6-diethylphenyl)-6-ethyl-2,5-dimethyl-4-oxopyridine-3-carboxamide (CID 23040375) is 1-benzyl-N-(2,6-diethylphenyl)-6-ethyl-2,5-dimethyl-4-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2,6-diethylphenyl)-6-ethyl-2,5-dimethyl-4-oxopyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(2,6-diethylphenyl)-6-ethyl-2,5-dimethyl-4-oxopyridine-3-carboxamide is CCc1cccc(CC)c1NC(=O)c1c(C)n(Cc2ccccc2)c(CC)c(C)c1=O.
What is the InChIKey of 1-benzyl-N-(2,6-diethylphenyl)-6-ethyl-2,5-dimethyl-4-oxopyridine-3-carboxamide?
The InChIKey is HWQAVYSATOQTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O2/c1-6-21-15-12-16-22(7-2)25(21)28-27(31)24-19(5)29(17-20-13-10-9-11-14-20)23(8-3)18(4)26(24)30/h9-16H,6-8,17H2,1-5H3,(H,28,31).
What are the key properties of 1-benzyl-N-(2,6-diethylphenyl)-6-ethyl-2,5-dimethyl-4-oxopyridine-3-carboxamide?
1-benzyl-N-(2,6-diethylphenyl)-6-ethyl-2,5-dimethyl-4-oxopyridine-3-carboxamide has a molecular weight of 416.57 g/mol, XLogP of 5.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2,6-diethylphenyl)-6-ethyl-2,5-dimethyl-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 23040375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).