N-[cyclobutyl-(3-fluorophenyl)methyl]-4-ethyl-2-methyl-6-oxo-1-phenylpyridine-3-carboxamide

C26H27FN2O2 — CID 76754906

IUPACN-[cyclobutyl-(3-fluorophenyl)methyl]-4-ethyl-2-methyl-6-oxo-1-phenylpyridine-3-carboxamide
SMILESCCc1cc(=O)n(-c2ccccc2)c(C)c1C(=O)NC(c1cccc(F)c1)C1CCC1
InChIInChI=1S/C26H27FN2O2/c1-3-18-16-23(30)29(22-13-5-4-6-14-22)17(2)24(18)26(31)28-25(19-9-7-10-19)20-11-8-12-21(27)15-20/h4-6,8,11-16,19,25H,3,7,9-10H2,1-2H3,(H,28,31)
InChIKeyCFOGCNUTVDVRDW-UHFFFAOYSA-N
MW418.51 g/mol
LogP5.12
Rot. Bonds6

About N-[cyclobutyl-(3-fluorophenyl)methyl]-4-ethyl-2-methyl-6-oxo-1-phenylpyridine-3-carboxamide

N-[cyclobutyl-(3-fluorophenyl)methyl]-4-ethyl-2-methyl-6-oxo-1-phenylpyridine-3-carboxamide (PubChem CID 76754906) has the molecular formula C26H27FN2O2 and a molecular weight of 418.51 g/mol. Its IUPAC name is N-[cyclobutyl-(3-fluorophenyl)methyl]-4-ethyl-2-methyl-6-oxo-1-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[cyclobutyl-(3-fluorophenyl)methyl]-4-ethyl-2-methyl-6-oxo-1-phenylpyridine-3-carboxamide
PubChem CID76754906
Molecular FormulaC26H27FN2O2
Molecular Weight418.51 g/mol
Exact Mass418.21
IUPAC NameN-[cyclobutyl-(3-fluorophenyl)methyl]-4-ethyl-2-methyl-6-oxo-1-phenylpyridine-3-carboxamide
SMILESCCc1cc(=O)n(-c2ccccc2)c(C)c1C(=O)NC(c1cccc(F)c1)C1CCC1
InChIInChI=1S/C26H27FN2O2/c1-3-18-16-23(30)29(22-13-5-4-6-14-22)17(2)24(18)26(31)28-25(19-9-7-10-19)20-11-8-12-21(27)15-20/h4-6,8,11-16,19,25H,3,7,9-10H2,1-2H3,(H,28,31)
InChIKeyCFOGCNUTVDVRDW-UHFFFAOYSA-N
XLogP5.12
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.51
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4,5-trimethyl-6-oxo-1-phenylpyridine-3-carboxamide
CID 53239447
5-chloro-N-[cyclobutyl-(3-fluorophenyl)methyl]-2-methyl-4-(methylamino)-6-oxo-1-propylpyridine-3-carboxamide
CID 75986440
N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2-ethoxy-8-fluoro-3-methyl-1-oxoisoquinoline-4-carboxamide
CID 45111345
5-cyano-N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxamide
CID 53239442
N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-8-fluoro-3-methyl-1-oxo-2-(propylamino)isoquinoline-4-carboxamide
CID 59253002
5-cyano-N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-6-oxo-1-(propylamino)pyridine-3-carboxamide
CID 53239443
N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-8-fluoro-3-methyl-2-[(2-methylfuran-3-yl)methyl]-1-oxoisoquinoline-4-carboxamide
CID 45376033
N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-8-fluoro-2-(3-fluoropropylamino)-3-methyl-1-oxoisoquinoline-4-carboxamide
CID 59253067
N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-8-fluoro-2,3-dimethyl-1-oxoisoquinoline-4-carboxamide
CID 59253073
N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-8-fluoro-3-methyl-1-oxo-2-[[(3R)-pyrrolidin-3-yl]methyl]isoquinoline-4-carboxamide
CID 59253045
5-bromo-N-[cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-1-(1,3-oxazol-2-ylmethyl)-6-oxopyridine-3-carboxamide
CID 75986376
5-bromo-N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-1-(1,3-oxazol-2-ylmethyl)-6-oxopyridine-3-carboxamide
CID 53239005

Frequently Asked Questions

What is the IUPAC name of N-[cyclobutyl-(3-fluorophenyl)methyl]-4-ethyl-2-methyl-6-oxo-1-phenylpyridine-3-carboxamide?
The IUPAC name of N-[cyclobutyl-(3-fluorophenyl)methyl]-4-ethyl-2-methyl-6-oxo-1-phenylpyridine-3-carboxamide (CID 76754906) is N-[cyclobutyl-(3-fluorophenyl)methyl]-4-ethyl-2-methyl-6-oxo-1-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-[cyclobutyl-(3-fluorophenyl)methyl]-4-ethyl-2-methyl-6-oxo-1-phenylpyridine-3-carboxamide?
The canonical SMILES for N-[cyclobutyl-(3-fluorophenyl)methyl]-4-ethyl-2-methyl-6-oxo-1-phenylpyridine-3-carboxamide is CCc1cc(=O)n(-c2ccccc2)c(C)c1C(=O)NC(c1cccc(F)c1)C1CCC1.
What is the InChIKey of N-[cyclobutyl-(3-fluorophenyl)methyl]-4-ethyl-2-methyl-6-oxo-1-phenylpyridine-3-carboxamide?
The InChIKey is CFOGCNUTVDVRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN2O2/c1-3-18-16-23(30)29(22-13-5-4-6-14-22)17(2)24(18)26(31)28-25(19-9-7-10-19)20-11-8-12-21(27)15-20/h4-6,8,11-16,19,25H,3,7,9-10H2,1-2H3,(H,28,31).
What are the key properties of N-[cyclobutyl-(3-fluorophenyl)methyl]-4-ethyl-2-methyl-6-oxo-1-phenylpyridine-3-carboxamide?
N-[cyclobutyl-(3-fluorophenyl)methyl]-4-ethyl-2-methyl-6-oxo-1-phenylpyridine-3-carboxamide has a molecular weight of 418.51 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclobutyl-(3-fluorophenyl)methyl]-4-ethyl-2-methyl-6-oxo-1-phenylpyridine-3-carboxamide is sourced from PubChem (CID 76754906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).