2-[[1-benzyl-5-(benzylcarbamoyl)-4-hydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid

C23H21N3O6 — CID 58238067

IUPAC2-[[1-benzyl-5-(benzylcarbamoyl)-4-hydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)c(C(=O)NCc2ccccc2)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C23H21N3O6/c27-18(28)12-25-22(31)19-20(29)17(21(30)24-11-15-7-3-1-4-8-15)14-26(23(19)32)13-16-9-5-2-6-10-16/h1-10,14,29H,11-13H2,(H,24,30)(H,25,31)(H,27,28)
InChIKeyKLZXBHCWAHDHCC-UHFFFAOYSA-N
MW435.44 g/mol
LogP1.35
Rot. Bonds8

About 2-[[1-benzyl-5-(benzylcarbamoyl)-4-hydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid

2-[[1-benzyl-5-(benzylcarbamoyl)-4-hydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid (PubChem CID 58238067) has the molecular formula C23H21N3O6 and a molecular weight of 435.44 g/mol. Its IUPAC name is 2-[[1-benzyl-5-(benzylcarbamoyl)-4-hydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-benzyl-5-(benzylcarbamoyl)-4-hydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid
PubChem CID58238067
Molecular FormulaC23H21N3O6
Molecular Weight435.44 g/mol
Exact Mass435.14
IUPAC Name2-[[1-benzyl-5-(benzylcarbamoyl)-4-hydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)c(C(=O)NCc2ccccc2)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C23H21N3O6/c27-18(28)12-25-22(31)19-20(29)17(21(30)24-11-15-7-3-1-4-8-15)14-26(23(19)32)13-16-9-5-2-6-10-16/h1-10,14,29H,11-13H2,(H,24,30)(H,25,31)(H,27,28)
InChIKeyKLZXBHCWAHDHCC-UHFFFAOYSA-N
XLogP1.35
TPSA137.73 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.44
LogP ≤ 51.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-benzyl-5-(benzylcarbamoyl)-4-hydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[1-benzyl-5-(benzylcarbamoyl)-4-hydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid (CID 58238067) is 2-[[1-benzyl-5-(benzylcarbamoyl)-4-hydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[1-benzyl-5-(benzylcarbamoyl)-4-hydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[1-benzyl-5-(benzylcarbamoyl)-4-hydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1c(O)c(C(=O)NCc2ccccc2)cn(Cc2ccccc2)c1=O.
What is the InChIKey of 2-[[1-benzyl-5-(benzylcarbamoyl)-4-hydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid?
The InChIKey is KLZXBHCWAHDHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O6/c27-18(28)12-25-22(31)19-20(29)17(21(30)24-11-15-7-3-1-4-8-15)14-26(23(19)32)13-16-9-5-2-6-10-16/h1-10,14,29H,11-13H2,(H,24,30)(H,25,31)(H,27,28).
What are the key properties of 2-[[1-benzyl-5-(benzylcarbamoyl)-4-hydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid?
2-[[1-benzyl-5-(benzylcarbamoyl)-4-hydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid has a molecular weight of 435.44 g/mol, XLogP of 1.35, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-benzyl-5-(benzylcarbamoyl)-4-hydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 58238067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).