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

C23H24FN3O3 — CID 58307458

IUPACN-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-1-(1,3-oxazol-2-ylmethyl)-6-oxopyridine-3-carboxamide
SMILESCc1cc(=O)n(Cc2ncco2)c(C)c1C(=O)N[C@H](c1cccc(F)c1)C1CCC1
InChIInChI=1S/C23H24FN3O3/c1-14-11-20(28)27(13-19-25-9-10-30-19)15(2)21(14)23(29)26-22(16-5-3-6-16)17-7-4-8-18(24)12-17/h4,7-12,16,22H,3,5-6,13H2,1-2H3,(H,26,29)/t22-/m0/s1
InChIKeyAHDDFOYXIOLUKY-QFIPXVFZSA-N
MW409.46 g/mol
LogP3.91
Rot. Bonds6

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

N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-1-(1,3-oxazol-2-ylmethyl)-6-oxopyridine-3-carboxamide (PubChem CID 58307458) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-1-(1,3-oxazol-2-ylmethyl)-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-1-(1,3-oxazol-2-ylmethyl)-6-oxopyridine-3-carboxamide
PubChem CID58307458
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC NameN-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-1-(1,3-oxazol-2-ylmethyl)-6-oxopyridine-3-carboxamide
SMILESCc1cc(=O)n(Cc2ncco2)c(C)c1C(=O)N[C@H](c1cccc(F)c1)C1CCC1
InChIInChI=1S/C23H24FN3O3/c1-14-11-20(28)27(13-19-25-9-10-30-19)15(2)21(14)23(29)26-22(16-5-3-6-16)17-7-4-8-18(24)12-17/h4,7-12,16,22H,3,5-6,13H2,1-2H3,(H,26,29)/t22-/m0/s1
InChIKeyAHDDFOYXIOLUKY-QFIPXVFZSA-N
XLogP3.91
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

US9815796, Example 675
CID 139268590
(2S,4R)-N-[(S)-(4-cyclopropyl-3-fluorophenyl)-phenylmethyl]-4-fluoro-1-[3-(1,3-oxazol-2-yl)propanoyl]pyrrolidine-2-carboxamide
CID 165138613
(2S,4R)-N-[(S)-[4-(3,3-difluorocyclobutyl)-3-fluorophenyl]-phenylmethyl]-4-fluoro-1-[2-(1,3-oxazol-2-yl)acetyl]pyrrolidine-2-carboxamide
CID 165140389
2-acetamido-N-benzyl-2-(1,3-oxazol-2-yl)acetamide
CID 14978591
US10793528, Example SC_5013
CID 130200874
US10807989, Example SC_1057
CID 130200944
(2S)-1-[2-(1,3-oxazol-2-yl)acetyl]-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 165140586
4,4-difluoro-N-[(2R)-1-[[(2R)-4-(1,3-oxazol-2-ylmethylamino)-3,4-dioxo-1-phenylbutan-2-yl]amino]-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 176455818
N-[(S)-cyclobutyl-(3,4-difluorophenyl)methyl]-8-fluoro-3-methyl-2-(1,3-oxazol-2-ylmethyl)-1-oxoisoquinoline-4-carboxamide
CID 45275024
N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]-8-fluoro-3-methyl-2-(1,3-oxazol-2-ylmethyl)-1-oxoisoquinoline-4-carboxamide
CID 45376174
N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-8-fluoro-3-methyl-2-(1,3-oxazol-2-ylmethyl)-1-oxoisoquinoline-4-carboxamide
CID 45376175
N-[(S)-cyclobutyl-(3,5-difluorophenyl)methyl]-8-fluoro-3-methyl-2-(1,3-oxazol-2-ylmethyl)-1-oxoisoquinoline-4-carboxamide
CID 45376305

Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-1-(1,3-oxazol-2-ylmethyl)-6-oxopyridine-3-carboxamide?
The IUPAC name of N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-1-(1,3-oxazol-2-ylmethyl)-6-oxopyridine-3-carboxamide (CID 58307458) is 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 N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-1-(1,3-oxazol-2-ylmethyl)-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-1-(1,3-oxazol-2-ylmethyl)-6-oxopyridine-3-carboxamide is Cc1cc(=O)n(Cc2ncco2)c(C)c1C(=O)N[C@H](c1cccc(F)c1)C1CCC1.
What is the InChIKey of N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-1-(1,3-oxazol-2-ylmethyl)-6-oxopyridine-3-carboxamide?
The InChIKey is AHDDFOYXIOLUKY-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H24FN3O3/c1-14-11-20(28)27(13-19-25-9-10-30-19)15(2)21(14)23(29)26-22(16-5-3-6-16)17-7-4-8-18(24)12-17/h4,7-12,16,22H,3,5-6,13H2,1-2H3,(H,26,29)/t22-/m0/s1.
What are the key properties of N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-1-(1,3-oxazol-2-ylmethyl)-6-oxopyridine-3-carboxamide?
N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-1-(1,3-oxazol-2-ylmethyl)-6-oxopyridine-3-carboxamide has a molecular weight of 409.46 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-1-(1,3-oxazol-2-ylmethyl)-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 58307458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).