1-butyl-N-[2,6-di(propan-2-yl)phenyl]-5-fluoro-2,6-dimethyl-4-oxopyridine-3-carboxamide

C24H33FN2O2 — CID 21289337

IUPAC1-butyl-N-[2,6-di(propan-2-yl)phenyl]-5-fluoro-2,6-dimethyl-4-oxopyridine-3-carboxamide
SMILESCCCCn1c(C)c(F)c(=O)c(C(=O)Nc2c(C(C)C)cccc2C(C)C)c1C
InChIInChI=1S/C24H33FN2O2/c1-8-9-13-27-16(6)20(23(28)21(25)17(27)7)24(29)26-22-18(14(2)3)11-10-12-19(22)15(4)5/h10-12,14-15H,8-9,13H2,1-7H3,(H,26,29)
InChIKeyWTYGYIFVSDJJRX-UHFFFAOYSA-N
MW400.54 g/mol
LogP5.90
Rot. Bonds7

About 1-butyl-N-[2,6-di(propan-2-yl)phenyl]-5-fluoro-2,6-dimethyl-4-oxopyridine-3-carboxamide

1-butyl-N-[2,6-di(propan-2-yl)phenyl]-5-fluoro-2,6-dimethyl-4-oxopyridine-3-carboxamide (PubChem CID 21289337) has the molecular formula C24H33FN2O2 and a molecular weight of 400.54 g/mol. Its IUPAC name is 1-butyl-N-[2,6-di(propan-2-yl)phenyl]-5-fluoro-2,6-dimethyl-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-[2,6-di(propan-2-yl)phenyl]-5-fluoro-2,6-dimethyl-4-oxopyridine-3-carboxamide
PubChem CID21289337
Molecular FormulaC24H33FN2O2
Molecular Weight400.54 g/mol
Exact Mass400.25
IUPAC Name1-butyl-N-[2,6-di(propan-2-yl)phenyl]-5-fluoro-2,6-dimethyl-4-oxopyridine-3-carboxamide
SMILESCCCCn1c(C)c(F)c(=O)c(C(=O)Nc2c(C(C)C)cccc2C(C)C)c1C
InChIInChI=1S/C24H33FN2O2/c1-8-9-13-27-16(6)20(23(28)21(25)17(27)7)24(29)26-22-18(14(2)3)11-10-12-19(22)15(4)5/h10-12,14-15H,8-9,13H2,1-7H3,(H,26,29)
InChIKeyWTYGYIFVSDJJRX-UHFFFAOYSA-N
XLogP5.90
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.54
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-butyl-N-[2,6-di(propan-2-yl)phenyl]-5-fluoro-2,6-dimethyl-4-oxopyridine-3-carboxamide with MolForge

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Related Compounds

5-bromo-N-[2,6-di(propan-2-yl)phenyl]-2,6-dimethyl-4-oxo-1-(4-phenylbutyl)pyridine-3-carboxamide
CID 21289460
N-(2,6-diethylphenyl)-2,5,6-trimethyl-4-oxo-1-pentylpyridine-3-carboxamide
CID 23037899
5-chloro-N-(2,6-dimethylphenyl)-1-hexyl-2,6-dimethyl-4-oxopyridine-3-carboxamide
CID 21289438
1-butyl-6-ethyl-N-(2-ethyl-6-methylphenyl)-2,5-dimethyl-4-oxopyridine-3-carboxamide
CID 23040834
1-butyl-5,6-diethyl-N-(2-ethyl-6-methylphenyl)-2-methyl-4-oxopyridine-3-carboxamide
CID 23040511
1-[(4-chlorophenyl)methyl]-N-(2-ethyl-6-methylphenyl)-5-fluoro-2,6-dimethyl-4-oxopyridine-3-carboxamide
CID 21289330
6-ethyl-N-(2-ethyl-6-methylphenyl)-1-hexyl-2,5-dimethyl-4-oxopyridine-3-carboxamide
CID 23040137
5-chloro-N-(2,6-diethylphenyl)-2,6-dimethyl-4-oxo-1-propylpyridine-3-carboxamide
CID 21289349
N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]butanamide
CID 113000635
N-(2-methyl-6-propan-2-ylphenyl)decanamide
CID 3411920
2,3-dimethyl-N-(2-methyl-6-propan-2-ylphenyl)-5-oxo-1,2-oxazole-4-carboxamide
CID 110681046
N-[2,6-di(propan-2-yl)phenyl]-3,5-difluorobenzamide
CID 8778728

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[2,6-di(propan-2-yl)phenyl]-5-fluoro-2,6-dimethyl-4-oxopyridine-3-carboxamide?
The IUPAC name of 1-butyl-N-[2,6-di(propan-2-yl)phenyl]-5-fluoro-2,6-dimethyl-4-oxopyridine-3-carboxamide (CID 21289337) is 1-butyl-N-[2,6-di(propan-2-yl)phenyl]-5-fluoro-2,6-dimethyl-4-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-[2,6-di(propan-2-yl)phenyl]-5-fluoro-2,6-dimethyl-4-oxopyridine-3-carboxamide?
The canonical SMILES for 1-butyl-N-[2,6-di(propan-2-yl)phenyl]-5-fluoro-2,6-dimethyl-4-oxopyridine-3-carboxamide is CCCCn1c(C)c(F)c(=O)c(C(=O)Nc2c(C(C)C)cccc2C(C)C)c1C.
What is the InChIKey of 1-butyl-N-[2,6-di(propan-2-yl)phenyl]-5-fluoro-2,6-dimethyl-4-oxopyridine-3-carboxamide?
The InChIKey is WTYGYIFVSDJJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33FN2O2/c1-8-9-13-27-16(6)20(23(28)21(25)17(27)7)24(29)26-22-18(14(2)3)11-10-12-19(22)15(4)5/h10-12,14-15H,8-9,13H2,1-7H3,(H,26,29).
What are the key properties of 1-butyl-N-[2,6-di(propan-2-yl)phenyl]-5-fluoro-2,6-dimethyl-4-oxopyridine-3-carboxamide?
1-butyl-N-[2,6-di(propan-2-yl)phenyl]-5-fluoro-2,6-dimethyl-4-oxopyridine-3-carboxamide has a molecular weight of 400.54 g/mol, XLogP of 5.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[2,6-di(propan-2-yl)phenyl]-5-fluoro-2,6-dimethyl-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 21289337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).