6-[hydroxy(phenyl)methyl]-1-(3-methylbutanoyl)-4-oxopyridine-3-carboxamide

C18H20N2O4 — CID 75528845

IUPAC6-[hydroxy(phenyl)methyl]-1-(3-methylbutanoyl)-4-oxopyridine-3-carboxamide
SMILESCC(C)CC(=O)n1cc(C(N)=O)c(=O)cc1C(O)c1ccccc1
InChIInChI=1S/C18H20N2O4/c1-11(2)8-16(22)20-10-13(18(19)24)15(21)9-14(20)17(23)12-6-4-3-5-7-12/h3-7,9-11,17,23H,8H2,1-2H3,(H2,19,24)
InChIKeyCCDXRMSTRMQFCG-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.72
Rot. Bonds5

About 6-[hydroxy(phenyl)methyl]-1-(3-methylbutanoyl)-4-oxopyridine-3-carboxamide

6-[hydroxy(phenyl)methyl]-1-(3-methylbutanoyl)-4-oxopyridine-3-carboxamide (PubChem CID 75528845) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 6-[hydroxy(phenyl)methyl]-1-(3-methylbutanoyl)-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name6-[hydroxy(phenyl)methyl]-1-(3-methylbutanoyl)-4-oxopyridine-3-carboxamide
PubChem CID75528845
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name6-[hydroxy(phenyl)methyl]-1-(3-methylbutanoyl)-4-oxopyridine-3-carboxamide
SMILESCC(C)CC(=O)n1cc(C(N)=O)c(=O)cc1C(O)c1ccccc1
InChIInChI=1S/C18H20N2O4/c1-11(2)8-16(22)20-10-13(18(19)24)15(21)9-14(20)17(23)12-6-4-3-5-7-12/h3-7,9-11,17,23H,8H2,1-2H3,(H2,19,24)
InChIKeyCCDXRMSTRMQFCG-UHFFFAOYSA-N
XLogP1.72
TPSA102.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[hydroxy(phenyl)methyl]-1-(3-methylbutanoyl)-4-oxopyridine-3-carboxamide?
The IUPAC name of 6-[hydroxy(phenyl)methyl]-1-(3-methylbutanoyl)-4-oxopyridine-3-carboxamide (CID 75528845) is 6-[hydroxy(phenyl)methyl]-1-(3-methylbutanoyl)-4-oxopyridine-3-carboxamide.
What is the SMILES notation for 6-[hydroxy(phenyl)methyl]-1-(3-methylbutanoyl)-4-oxopyridine-3-carboxamide?
The canonical SMILES for 6-[hydroxy(phenyl)methyl]-1-(3-methylbutanoyl)-4-oxopyridine-3-carboxamide is CC(C)CC(=O)n1cc(C(N)=O)c(=O)cc1C(O)c1ccccc1.
What is the InChIKey of 6-[hydroxy(phenyl)methyl]-1-(3-methylbutanoyl)-4-oxopyridine-3-carboxamide?
The InChIKey is CCDXRMSTRMQFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-11(2)8-16(22)20-10-13(18(19)24)15(21)9-14(20)17(23)12-6-4-3-5-7-12/h3-7,9-11,17,23H,8H2,1-2H3,(H2,19,24).
What are the key properties of 6-[hydroxy(phenyl)methyl]-1-(3-methylbutanoyl)-4-oxopyridine-3-carboxamide?
6-[hydroxy(phenyl)methyl]-1-(3-methylbutanoyl)-4-oxopyridine-3-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[hydroxy(phenyl)methyl]-1-(3-methylbutanoyl)-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 75528845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).