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

C24H33BrN2O2 — CID 23040615

IUPACN-(4-bromo-2,6-diethylphenyl)-1-butyl-2-ethyl-5,6-dimethyl-4-oxopyridine-3-carboxamide
SMILESCCCCn1c(C)c(C)c(=O)c(C(=O)Nc2c(CC)cc(Br)cc2CC)c1CC
InChIInChI=1S/C24H33BrN2O2/c1-7-11-12-27-16(6)15(5)23(28)21(20(27)10-4)24(29)26-22-17(8-2)13-19(25)14-18(22)9-3/h13-14H,7-12H2,1-6H3,(H,26,29)
InChIKeyIZHUMFZONBMHPA-UHFFFAOYSA-N
MW461.44 g/mol
LogP5.97
Rot. Bonds8

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

N-(4-bromo-2,6-diethylphenyl)-1-butyl-2-ethyl-5,6-dimethyl-4-oxopyridine-3-carboxamide (PubChem CID 23040615) has the molecular formula C24H33BrN2O2 and a molecular weight of 461.44 g/mol. Its IUPAC name is N-(4-bromo-2,6-diethylphenyl)-1-butyl-2-ethyl-5,6-dimethyl-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-diethylphenyl)-1-butyl-2-ethyl-5,6-dimethyl-4-oxopyridine-3-carboxamide
PubChem CID23040615
Molecular FormulaC24H33BrN2O2
Molecular Weight461.44 g/mol
Exact Mass460.17
IUPAC NameN-(4-bromo-2,6-diethylphenyl)-1-butyl-2-ethyl-5,6-dimethyl-4-oxopyridine-3-carboxamide
SMILESCCCCn1c(C)c(C)c(=O)c(C(=O)Nc2c(CC)cc(Br)cc2CC)c1CC
InChIInChI=1S/C24H33BrN2O2/c1-7-11-12-27-16(6)15(5)23(28)21(20(27)10-4)24(29)26-22-17(8-2)13-19(25)14-18(22)9-3/h13-14H,7-12H2,1-6H3,(H,26,29)
InChIKeyIZHUMFZONBMHPA-UHFFFAOYSA-N
XLogP5.97
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.44
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-diethylphenyl)-1-butyl-2-ethyl-5,6-dimethyl-4-oxopyridine-3-carboxamide?
The IUPAC name of N-(4-bromo-2,6-diethylphenyl)-1-butyl-2-ethyl-5,6-dimethyl-4-oxopyridine-3-carboxamide (CID 23040615) is N-(4-bromo-2,6-diethylphenyl)-1-butyl-2-ethyl-5,6-dimethyl-4-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2,6-diethylphenyl)-1-butyl-2-ethyl-5,6-dimethyl-4-oxopyridine-3-carboxamide?
The canonical SMILES for N-(4-bromo-2,6-diethylphenyl)-1-butyl-2-ethyl-5,6-dimethyl-4-oxopyridine-3-carboxamide is CCCCn1c(C)c(C)c(=O)c(C(=O)Nc2c(CC)cc(Br)cc2CC)c1CC.
What is the InChIKey of N-(4-bromo-2,6-diethylphenyl)-1-butyl-2-ethyl-5,6-dimethyl-4-oxopyridine-3-carboxamide?
The InChIKey is IZHUMFZONBMHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33BrN2O2/c1-7-11-12-27-16(6)15(5)23(28)21(20(27)10-4)24(29)26-22-17(8-2)13-19(25)14-18(22)9-3/h13-14H,7-12H2,1-6H3,(H,26,29).
What are the key properties of N-(4-bromo-2,6-diethylphenyl)-1-butyl-2-ethyl-5,6-dimethyl-4-oxopyridine-3-carboxamide?
N-(4-bromo-2,6-diethylphenyl)-1-butyl-2-ethyl-5,6-dimethyl-4-oxopyridine-3-carboxamide has a molecular weight of 461.44 g/mol, XLogP of 5.97, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-diethylphenyl)-1-butyl-2-ethyl-5,6-dimethyl-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 23040615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).