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

C24H23FN4O3 — CID 53239444

IUPAC5-cyano-N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-1-(1,3-oxazol-2-ylmethyl)-6-oxopyridine-3-carboxamide
SMILESCc1c(C(=O)N[C@H](c2cccc(F)c2)C2CCC2)c(C)n(Cc2ncco2)c(=O)c1C#N
InChIInChI=1S/C24H23FN4O3/c1-14-19(12-26)24(31)29(13-20-27-9-10-32-20)15(2)21(14)23(30)28-22(16-5-3-6-16)17-7-4-8-18(25)11-17/h4,7-11,16,22H,3,5-6,13H2,1-2H3,(H,28,30)/t22-/m0/s1
InChIKeyLIJVBCCQEAXNCI-QFIPXVFZSA-N
MW434.47 g/mol
LogP3.78
Rot. Bonds6

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

5-cyano-N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-1-(1,3-oxazol-2-ylmethyl)-6-oxopyridine-3-carboxamide (PubChem CID 53239444) has the molecular formula C24H23FN4O3 and a molecular weight of 434.47 g/mol. Its IUPAC name is 5-cyano-N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-1-(1,3-oxazol-2-ylmethyl)-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-1-(1,3-oxazol-2-ylmethyl)-6-oxopyridine-3-carboxamide
PubChem CID53239444
Molecular FormulaC24H23FN4O3
Molecular Weight434.47 g/mol
Exact Mass434.18
IUPAC Name5-cyano-N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-1-(1,3-oxazol-2-ylmethyl)-6-oxopyridine-3-carboxamide
SMILESCc1c(C(=O)N[C@H](c2cccc(F)c2)C2CCC2)c(C)n(Cc2ncco2)c(=O)c1C#N
InChIInChI=1S/C24H23FN4O3/c1-14-19(12-26)24(31)29(13-20-27-9-10-32-20)15(2)21(14)23(30)28-22(16-5-3-6-16)17-7-4-8-18(25)11-17/h4,7-11,16,22H,3,5-6,13H2,1-2H3,(H,28,30)/t22-/m0/s1
InChIKeyLIJVBCCQEAXNCI-QFIPXVFZSA-N
XLogP3.78
TPSA100.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-cyano-N-[(S)-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

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-1-(1,3-oxazol-2-ylmethyl)-6-oxopyridine-3-carboxamide?
The IUPAC name of 5-cyano-N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-1-(1,3-oxazol-2-ylmethyl)-6-oxopyridine-3-carboxamide (CID 53239444) is 5-cyano-N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-1-(1,3-oxazol-2-ylmethyl)-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 5-cyano-N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-1-(1,3-oxazol-2-ylmethyl)-6-oxopyridine-3-carboxamide?
The canonical SMILES for 5-cyano-N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-1-(1,3-oxazol-2-ylmethyl)-6-oxopyridine-3-carboxamide is Cc1c(C(=O)N[C@H](c2cccc(F)c2)C2CCC2)c(C)n(Cc2ncco2)c(=O)c1C#N.
What is the InChIKey of 5-cyano-N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-1-(1,3-oxazol-2-ylmethyl)-6-oxopyridine-3-carboxamide?
The InChIKey is LIJVBCCQEAXNCI-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H23FN4O3/c1-14-19(12-26)24(31)29(13-20-27-9-10-32-20)15(2)21(14)23(30)28-22(16-5-3-6-16)17-7-4-8-18(25)11-17/h4,7-11,16,22H,3,5-6,13H2,1-2H3,(H,28,30)/t22-/m0/s1.
What are the key properties of 5-cyano-N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-1-(1,3-oxazol-2-ylmethyl)-6-oxopyridine-3-carboxamide?
5-cyano-N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-1-(1,3-oxazol-2-ylmethyl)-6-oxopyridine-3-carboxamide has a molecular weight of 434.47 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-1-(1,3-oxazol-2-ylmethyl)-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 53239444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).