N-(3-acetyl-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)-2-phenylacetamide

C16H16N2O4 — CID 54693415

IUPACN-(3-acetyl-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)-2-phenylacetamide
SMILESCC(=O)c1c(O)cc(C)n(NC(=O)Cc2ccccc2)c1=O
InChIInChI=1S/C16H16N2O4/c1-10-8-13(20)15(11(2)19)16(22)18(10)17-14(21)9-12-6-4-3-5-7-12/h3-8,20H,9H2,1-2H3,(H,17,21)
InChIKeyGJBGSQKLKOBTIH-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.38
Rot. Bonds4

About N-(3-acetyl-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)-2-phenylacetamide

N-(3-acetyl-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)-2-phenylacetamide (PubChem CID 54693415) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is N-(3-acetyl-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(3-acetyl-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)-2-phenylacetamide
PubChem CID54693415
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC NameN-(3-acetyl-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)-2-phenylacetamide
SMILESCC(=O)c1c(O)cc(C)n(NC(=O)Cc2ccccc2)c1=O
InChIInChI=1S/C16H16N2O4/c1-10-8-13(20)15(11(2)19)16(22)18(10)17-14(21)9-12-6-4-3-5-7-12/h3-8,20H,9H2,1-2H3,(H,17,21)
InChIKeyGJBGSQKLKOBTIH-UHFFFAOYSA-N
XLogP1.38
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetyl-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)-2-phenylacetamide?
The IUPAC name of N-(3-acetyl-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)-2-phenylacetamide (CID 54693415) is N-(3-acetyl-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)-2-phenylacetamide.
What is the SMILES notation for N-(3-acetyl-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)-2-phenylacetamide?
The canonical SMILES for N-(3-acetyl-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)-2-phenylacetamide is CC(=O)c1c(O)cc(C)n(NC(=O)Cc2ccccc2)c1=O.
What is the InChIKey of N-(3-acetyl-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)-2-phenylacetamide?
The InChIKey is GJBGSQKLKOBTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-10-8-13(20)15(11(2)19)16(22)18(10)17-14(21)9-12-6-4-3-5-7-12/h3-8,20H,9H2,1-2H3,(H,17,21).
What are the key properties of N-(3-acetyl-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)-2-phenylacetamide?
N-(3-acetyl-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)-2-phenylacetamide has a molecular weight of 300.31 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetyl-4-hydroxy-6-methyl-2-oxo-1-pyridinyl)-2-phenylacetamide is sourced from PubChem (CID 54693415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).