6-[hydroxy(phenyl)methyl]-1-[2-(3-methylbutanoylamino)ethyl]-4-oxopyridine-3-carboxylic acid

C20H24N2O5 — CID 45359195

IUPAC6-[hydroxy(phenyl)methyl]-1-[2-(3-methylbutanoylamino)ethyl]-4-oxopyridine-3-carboxylic acid
SMILESCC(C)CC(=O)NCCn1cc(C(=O)O)c(=O)cc1C(O)c1ccccc1
InChIInChI=1S/C20H24N2O5/c1-13(2)10-18(24)21-8-9-22-12-15(20(26)27)17(23)11-16(22)19(25)14-6-4-3-5-7-14/h3-7,11-13,19,25H,8-10H2,1-2H3,(H,21,24)(H,26,27)
InChIKeyYTPQOAKWPUOEEC-UHFFFAOYSA-N
MW372.42 g/mol
LogP1.79
Rot. Bonds8

About 6-[hydroxy(phenyl)methyl]-1-[2-(3-methylbutanoylamino)ethyl]-4-oxopyridine-3-carboxylic acid

6-[hydroxy(phenyl)methyl]-1-[2-(3-methylbutanoylamino)ethyl]-4-oxopyridine-3-carboxylic acid (PubChem CID 45359195) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is 6-[hydroxy(phenyl)methyl]-1-[2-(3-methylbutanoylamino)ethyl]-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[hydroxy(phenyl)methyl]-1-[2-(3-methylbutanoylamino)ethyl]-4-oxopyridine-3-carboxylic acid
PubChem CID45359195
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name6-[hydroxy(phenyl)methyl]-1-[2-(3-methylbutanoylamino)ethyl]-4-oxopyridine-3-carboxylic acid
SMILESCC(C)CC(=O)NCCn1cc(C(=O)O)c(=O)cc1C(O)c1ccccc1
InChIInChI=1S/C20H24N2O5/c1-13(2)10-18(24)21-8-9-22-12-15(20(26)27)17(23)11-16(22)19(25)14-6-4-3-5-7-14/h3-7,11-13,19,25H,8-10H2,1-2H3,(H,21,24)(H,26,27)
InChIKeyYTPQOAKWPUOEEC-UHFFFAOYSA-N
XLogP1.79
TPSA108.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-[hydroxy(phenyl)methyl]-1-[2-(3-methylbutanoylamino)ethyl]-4-oxopyridine-3-carboxylic acid 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 6-[hydroxy(phenyl)methyl]-1-[2-(3-methylbutanoylamino)ethyl]-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 6-[hydroxy(phenyl)methyl]-1-[2-(3-methylbutanoylamino)ethyl]-4-oxopyridine-3-carboxylic acid (CID 45359195) is 6-[hydroxy(phenyl)methyl]-1-[2-(3-methylbutanoylamino)ethyl]-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 6-[hydroxy(phenyl)methyl]-1-[2-(3-methylbutanoylamino)ethyl]-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 6-[hydroxy(phenyl)methyl]-1-[2-(3-methylbutanoylamino)ethyl]-4-oxopyridine-3-carboxylic acid is CC(C)CC(=O)NCCn1cc(C(=O)O)c(=O)cc1C(O)c1ccccc1.
What is the InChIKey of 6-[hydroxy(phenyl)methyl]-1-[2-(3-methylbutanoylamino)ethyl]-4-oxopyridine-3-carboxylic acid?
The InChIKey is YTPQOAKWPUOEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-13(2)10-18(24)21-8-9-22-12-15(20(26)27)17(23)11-16(22)19(25)14-6-4-3-5-7-14/h3-7,11-13,19,25H,8-10H2,1-2H3,(H,21,24)(H,26,27).
What are the key properties of 6-[hydroxy(phenyl)methyl]-1-[2-(3-methylbutanoylamino)ethyl]-4-oxopyridine-3-carboxylic acid?
6-[hydroxy(phenyl)methyl]-1-[2-(3-methylbutanoylamino)ethyl]-4-oxopyridine-3-carboxylic acid has a molecular weight of 372.42 g/mol, XLogP of 1.79, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[hydroxy(phenyl)methyl]-1-[2-(3-methylbutanoylamino)ethyl]-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 45359195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).