5-bromo-N-[cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-1-(1,3-oxazol-2-ylmethyl)-6-oxopyridine-3-carboxamide

C23H23BrFN3O3 — CID 75986376

IUPAC5-bromo-N-[cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-1-(1,3-oxazol-2-ylmethyl)-6-oxopyridine-3-carboxamide
SMILESCc1c(C(=O)NC(c2cccc(F)c2)C2CCC2)c(C)n(Cc2ncco2)c(=O)c1Br
InChIInChI=1S/C23H23BrFN3O3/c1-13-19(14(2)28(23(30)20(13)24)12-18-26-9-10-31-18)22(29)27-21(15-5-3-6-15)16-7-4-8-17(25)11-16/h4,7-11,15,21H,3,5-6,12H2,1-2H3,(H,27,29)
InChIKeyFYVYTOSRPMPHPO-UHFFFAOYSA-N
MW488.36 g/mol
LogP4.67
Rot. Bonds6

About 5-bromo-N-[cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-1-(1,3-oxazol-2-ylmethyl)-6-oxopyridine-3-carboxamide

5-bromo-N-[cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-1-(1,3-oxazol-2-ylmethyl)-6-oxopyridine-3-carboxamide (PubChem CID 75986376) has the molecular formula C23H23BrFN3O3 and a molecular weight of 488.36 g/mol. Its IUPAC name is 5-bromo-N-[cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-1-(1,3-oxazol-2-ylmethyl)-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-1-(1,3-oxazol-2-ylmethyl)-6-oxopyridine-3-carboxamide
PubChem CID75986376
Molecular FormulaC23H23BrFN3O3
Molecular Weight488.36 g/mol
Exact Mass487.09
IUPAC Name5-bromo-N-[cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-1-(1,3-oxazol-2-ylmethyl)-6-oxopyridine-3-carboxamide
SMILESCc1c(C(=O)NC(c2cccc(F)c2)C2CCC2)c(C)n(Cc2ncco2)c(=O)c1Br
InChIInChI=1S/C23H23BrFN3O3/c1-13-19(14(2)28(23(30)20(13)24)12-18-26-9-10-31-18)22(29)27-21(15-5-3-6-15)16-7-4-8-17(25)11-16/h4,7-11,15,21H,3,5-6,12H2,1-2H3,(H,27,29)
InChIKeyFYVYTOSRPMPHPO-UHFFFAOYSA-N
XLogP4.67
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.36
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-bromo-N-[cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-1-(1,3-oxazol-2-ylmethyl)-6-oxopyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-1-(1,3-oxazol-2-ylmethyl)-6-oxopyridine-3-carboxamide
CID 53239005
5-bromo-N-[cyclobutyl-(3,5-difluorophenyl)methyl]-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxamide
CID 75986198
N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-8-fluoro-3-methyl-2-[(2-methylfuran-3-yl)methyl]-1-oxoisoquinoline-4-carboxamide
CID 45376033
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]-2,4,5-trimethyl-6-oxo-1-phenylpyridine-3-carboxamide
CID 53239447
N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-8-fluoro-3-methyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-oxoisoquinoline-4-carboxamide
CID 45377791
5-chloro-N-[cyclobutyl-(3-fluorophenyl)methyl]-2-methyl-4-(methylamino)-6-oxo-1-propylpyridine-3-carboxamide
CID 75986440
5-bromo-1-butyl-N-[(S)-(3-chlorophenyl)-cyclopropylmethyl]-2,4-dimethyl-6-oxopyridine-3-carboxamide
CID 58307480
5-cyano-N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-6-oxo-1-(propylamino)pyridine-3-carboxamide
CID 53239443
N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-2-(2,2-difluoropropyl)-8-fluoro-3-methyl-1-oxoisoquinoline-4-carboxamide
CID 59253034
N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-8-fluoro-3-methyl-1-oxo-2-[[(3R)-pyrrolidin-3-yl]methyl]isoquinoline-4-carboxamide
CID 59253045
N-[cyclobutyl-(3-fluorophenyl)methyl]-4-ethyl-2-methyl-6-oxo-1-phenylpyridine-3-carboxamide
CID 76754906

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-1-(1,3-oxazol-2-ylmethyl)-6-oxopyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-1-(1,3-oxazol-2-ylmethyl)-6-oxopyridine-3-carboxamide (CID 75986376) is 5-bromo-N-[cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-1-(1,3-oxazol-2-ylmethyl)-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-1-(1,3-oxazol-2-ylmethyl)-6-oxopyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-1-(1,3-oxazol-2-ylmethyl)-6-oxopyridine-3-carboxamide is Cc1c(C(=O)NC(c2cccc(F)c2)C2CCC2)c(C)n(Cc2ncco2)c(=O)c1Br.
What is the InChIKey of 5-bromo-N-[cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-1-(1,3-oxazol-2-ylmethyl)-6-oxopyridine-3-carboxamide?
The InChIKey is FYVYTOSRPMPHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrFN3O3/c1-13-19(14(2)28(23(30)20(13)24)12-18-26-9-10-31-18)22(29)27-21(15-5-3-6-15)16-7-4-8-17(25)11-16/h4,7-11,15,21H,3,5-6,12H2,1-2H3,(H,27,29).
What are the key properties of 5-bromo-N-[cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-1-(1,3-oxazol-2-ylmethyl)-6-oxopyridine-3-carboxamide?
5-bromo-N-[cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-1-(1,3-oxazol-2-ylmethyl)-6-oxopyridine-3-carboxamide has a molecular weight of 488.36 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-1-(1,3-oxazol-2-ylmethyl)-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 75986376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).