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

C23H24FN3O3 — CID 76754907

IUPACN-[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)NC(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)
InChIKeyAHDDFOYXIOLUKY-UHFFFAOYSA-N
MW409.46 g/mol
LogP3.91
Rot. Bonds6

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

N-[cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-1-(1,3-oxazol-2-ylmethyl)-6-oxopyridine-3-carboxamide (PubChem CID 76754907) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is N-[cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-1-(1,3-oxazol-2-ylmethyl)-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-1-(1,3-oxazol-2-ylmethyl)-6-oxopyridine-3-carboxamide
PubChem CID76754907
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC NameN-[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)NC(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)
InChIKeyAHDDFOYXIOLUKY-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-[cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-1-(1,3-oxazol-2-ylmethyl)-6-oxopyridine-3-carboxamide?
The IUPAC name of N-[cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-1-(1,3-oxazol-2-ylmethyl)-6-oxopyridine-3-carboxamide (CID 76754907) is N-[cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-1-(1,3-oxazol-2-ylmethyl)-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-1-(1,3-oxazol-2-ylmethyl)-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-[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)NC(c1cccc(F)c1)C1CCC1.
What is the InChIKey of N-[cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-1-(1,3-oxazol-2-ylmethyl)-6-oxopyridine-3-carboxamide?
The InChIKey is AHDDFOYXIOLUKY-UHFFFAOYSA-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).
What are the key properties of N-[cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-1-(1,3-oxazol-2-ylmethyl)-6-oxopyridine-3-carboxamide?
N-[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-[cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-1-(1,3-oxazol-2-ylmethyl)-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 76754907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).