2-[[1-benzyl-5-(benzylcarbamoyl)-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid

C23H21N3O7 — CID 58238046

IUPAC2-[[1-benzyl-5-(benzylcarbamoyl)-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)c(C(=O)NCc2ccccc2)c(O)n(Cc2ccccc2)c1=O
InChIInChI=1S/C23H21N3O7/c27-16(28)12-25-21(31)18-19(29)17(20(30)24-11-14-7-3-1-4-8-14)22(32)26(23(18)33)13-15-9-5-2-6-10-15/h1-10,29,32H,11-13H2,(H,24,30)(H,25,31)(H,27,28)
InChIKeyUXTVXZCTMMWIBT-UHFFFAOYSA-N
MW451.44 g/mol
LogP1.05
Rot. Bonds8

About 2-[[1-benzyl-5-(benzylcarbamoyl)-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid

2-[[1-benzyl-5-(benzylcarbamoyl)-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid (PubChem CID 58238046) has the molecular formula C23H21N3O7 and a molecular weight of 451.44 g/mol. Its IUPAC name is 2-[[1-benzyl-5-(benzylcarbamoyl)-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-benzyl-5-(benzylcarbamoyl)-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid
PubChem CID58238046
Molecular FormulaC23H21N3O7
Molecular Weight451.44 g/mol
Exact Mass451.14
IUPAC Name2-[[1-benzyl-5-(benzylcarbamoyl)-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)c(C(=O)NCc2ccccc2)c(O)n(Cc2ccccc2)c1=O
InChIInChI=1S/C23H21N3O7/c27-16(28)12-25-21(31)18-19(29)17(20(30)24-11-14-7-3-1-4-8-14)22(32)26(23(18)33)13-15-9-5-2-6-10-15/h1-10,29,32H,11-13H2,(H,24,30)(H,25,31)(H,27,28)
InChIKeyUXTVXZCTMMWIBT-UHFFFAOYSA-N
XLogP1.05
TPSA157.96 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.44
LogP ≤ 51.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-benzyl-5-(benzylcarbamoyl)-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[1-benzyl-5-(benzylcarbamoyl)-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid (CID 58238046) is 2-[[1-benzyl-5-(benzylcarbamoyl)-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[1-benzyl-5-(benzylcarbamoyl)-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[1-benzyl-5-(benzylcarbamoyl)-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1c(O)c(C(=O)NCc2ccccc2)c(O)n(Cc2ccccc2)c1=O.
What is the InChIKey of 2-[[1-benzyl-5-(benzylcarbamoyl)-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid?
The InChIKey is UXTVXZCTMMWIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O7/c27-16(28)12-25-21(31)18-19(29)17(20(30)24-11-14-7-3-1-4-8-14)22(32)26(23(18)33)13-15-9-5-2-6-10-15/h1-10,29,32H,11-13H2,(H,24,30)(H,25,31)(H,27,28).
What are the key properties of 2-[[1-benzyl-5-(benzylcarbamoyl)-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid?
2-[[1-benzyl-5-(benzylcarbamoyl)-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid has a molecular weight of 451.44 g/mol, XLogP of 1.05, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-benzyl-5-(benzylcarbamoyl)-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 58238046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).