N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4,5-trimethyl-6-oxo-1-phenylpyridine-3-carboxamide

C26H27FN2O2 — CID 53239447

About N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4,5-trimethyl-6-oxo-1-phenylpyridine-3-carboxamide

N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4,5-trimethyl-6-oxo-1-phenylpyridine-3-carboxamide (PubChem CID 53239447) has the molecular formula C26H27FN2O2 and a molecular weight of 418.51 g/mol. Its IUPAC name is N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4,5-trimethyl-6-oxo-1-phenylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4,5-trimethyl-6-oxo-1-phenylpyridine-3-carboxamide
• PubChem CID: 53239447
• Molecular Formula: C26H27FN2O2
• Molecular Weight: 418.51 g/mol
• Exact Mass: 418.21
• IUPAC Name: N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4,5-trimethyl-6-oxo-1-phenylpyridine-3-carboxamide
• SMILES: Cc1c(C(=O)N[C@H](c2cccc(F)c2)C2CCC2)c(C)n(-c2ccccc2)c(=O)c1C
• InChI: InChI=1S/C26H27FN2O2/c1-16-17(2)26(31)29(22-13-5-4-6-14-22)18(3)23(16)25(30)28-24(19-9-7-10-19)20-11-8-12-21(27)15-20/h4-6,8,11-15,19,24H,7,9-10H2,1-3H3,(H,28,30)/t24-/m0/s1
• InChIKey: NCYVLKDUIRSWRT-DEOSSOPVSA-N
• XLogP: 5.17
• TPSA: 51.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	418.51
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4,5-trimethyl-6-oxo-1-phenylpyridine-3-carboxamide?

The IUPAC name of N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4,5-trimethyl-6-oxo-1-phenylpyridine-3-carboxamide (CID 53239447) is N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4,5-trimethyl-6-oxo-1-phenylpyridine-3-carboxamide.

What is the SMILES notation for N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4,5-trimethyl-6-oxo-1-phenylpyridine-3-carboxamide?

The canonical SMILES for N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4,5-trimethyl-6-oxo-1-phenylpyridine-3-carboxamide is Cc1c(C(=O)N[C@H](c2cccc(F)c2)C2CCC2)c(C)n(-c2ccccc2)c(=O)c1C.

What is the InChIKey of N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4,5-trimethyl-6-oxo-1-phenylpyridine-3-carboxamide?

The InChIKey is NCYVLKDUIRSWRT-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H27FN2O2/c1-16-17(2)26(31)29(22-13-5-4-6-14-22)18(3)23(16)25(30)28-24(19-9-7-10-19)20-11-8-12-21(27)15-20/h4-6,8,11-15,19,24H,7,9-10H2,1-3H3,(H,28,30)/t24-/m0/s1.

What are the key properties of N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4,5-trimethyl-6-oxo-1-phenylpyridine-3-carboxamide?

N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4,5-trimethyl-6-oxo-1-phenylpyridine-3-carboxamide has a molecular weight of 418.51 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4,5-trimethyl-6-oxo-1-phenylpyridine-3-carboxamide is sourced from PubChem (CID 53239447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).