(2S)-4-[(6-benzyl-4-oxo-1-phenylpyridine-3-carbonyl)amino]-2-methyl-4-oxobutanoic acid

C24H22N2O5 — CID 25209072

IUPAC(2S)-4-[(6-benzyl-4-oxo-1-phenylpyridine-3-carbonyl)amino]-2-methyl-4-oxobutanoic acid
SMILESC[C@@H](CC(=O)NC(=O)c1cn(-c2ccccc2)c(Cc2ccccc2)cc1=O)C(=O)O
InChIInChI=1S/C24H22N2O5/c1-16(24(30)31)12-22(28)25-23(29)20-15-26(18-10-6-3-7-11-18)19(14-21(20)27)13-17-8-4-2-5-9-17/h2-11,14-16H,12-13H2,1H3,(H,30,31)(H,25,28,29)/t16-/m0/s1
InChIKeyNTTJVIQCCNYXRP-INIZCTEOSA-N
MW418.45 g/mol
LogP2.80
Rot. Bonds7

About (2S)-4-[(6-benzyl-4-oxo-1-phenylpyridine-3-carbonyl)amino]-2-methyl-4-oxobutanoic acid

(2S)-4-[(6-benzyl-4-oxo-1-phenylpyridine-3-carbonyl)amino]-2-methyl-4-oxobutanoic acid (PubChem CID 25209072) has the molecular formula C24H22N2O5 and a molecular weight of 418.45 g/mol. Its IUPAC name is (2S)-4-[(6-benzyl-4-oxo-1-phenylpyridine-3-carbonyl)amino]-2-methyl-4-oxobutanoic acid.

Molecular Properties

Compound Name(2S)-4-[(6-benzyl-4-oxo-1-phenylpyridine-3-carbonyl)amino]-2-methyl-4-oxobutanoic acid
PubChem CID25209072
Molecular FormulaC24H22N2O5
Molecular Weight418.45 g/mol
Exact Mass418.15
IUPAC Name(2S)-4-[(6-benzyl-4-oxo-1-phenylpyridine-3-carbonyl)amino]-2-methyl-4-oxobutanoic acid
SMILESC[C@@H](CC(=O)NC(=O)c1cn(-c2ccccc2)c(Cc2ccccc2)cc1=O)C(=O)O
InChIInChI=1S/C24H22N2O5/c1-16(24(30)31)12-22(28)25-23(29)20-15-26(18-10-6-3-7-11-18)19(14-21(20)27)13-17-8-4-2-5-9-17/h2-11,14-16H,12-13H2,1H3,(H,30,31)(H,25,28,29)/t16-/m0/s1
InChIKeyNTTJVIQCCNYXRP-INIZCTEOSA-N
XLogP2.80
TPSA105.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(6-benzyl-4-oxo-1-phenylpyridine-3-carbonyl)amino]-2-methyl-4-oxobutanoic acid?
The IUPAC name of (2S)-4-[(6-benzyl-4-oxo-1-phenylpyridine-3-carbonyl)amino]-2-methyl-4-oxobutanoic acid (CID 25209072) is (2S)-4-[(6-benzyl-4-oxo-1-phenylpyridine-3-carbonyl)amino]-2-methyl-4-oxobutanoic acid.
What is the SMILES notation for (2S)-4-[(6-benzyl-4-oxo-1-phenylpyridine-3-carbonyl)amino]-2-methyl-4-oxobutanoic acid?
The canonical SMILES for (2S)-4-[(6-benzyl-4-oxo-1-phenylpyridine-3-carbonyl)amino]-2-methyl-4-oxobutanoic acid is C[C@@H](CC(=O)NC(=O)c1cn(-c2ccccc2)c(Cc2ccccc2)cc1=O)C(=O)O.
What is the InChIKey of (2S)-4-[(6-benzyl-4-oxo-1-phenylpyridine-3-carbonyl)amino]-2-methyl-4-oxobutanoic acid?
The InChIKey is NTTJVIQCCNYXRP-INIZCTEOSA-N. The full InChI is InChI=1S/C24H22N2O5/c1-16(24(30)31)12-22(28)25-23(29)20-15-26(18-10-6-3-7-11-18)19(14-21(20)27)13-17-8-4-2-5-9-17/h2-11,14-16H,12-13H2,1H3,(H,30,31)(H,25,28,29)/t16-/m0/s1.
What are the key properties of (2S)-4-[(6-benzyl-4-oxo-1-phenylpyridine-3-carbonyl)amino]-2-methyl-4-oxobutanoic acid?
(2S)-4-[(6-benzyl-4-oxo-1-phenylpyridine-3-carbonyl)amino]-2-methyl-4-oxobutanoic acid has a molecular weight of 418.45 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(6-benzyl-4-oxo-1-phenylpyridine-3-carbonyl)amino]-2-methyl-4-oxobutanoic acid is sourced from PubChem (CID 25209072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).