2-[(7-benzyl-1-cyano-4-hydroxy-8-oxo-2,7-naphthyridine-3-carbonyl)amino]-2-phenylpropanoic acid

C26H20N4O5 — CID 118890663

IUPAC2-[(7-benzyl-1-cyano-4-hydroxy-8-oxo-2,7-naphthyridine-3-carbonyl)amino]-2-phenylpropanoic acid
SMILESCC(NC(=O)c1nc(C#N)c2c(=O)n(Cc3ccccc3)ccc2c1O)(C(=O)O)c1ccccc1
InChIInChI=1S/C26H20N4O5/c1-26(25(34)35,17-10-6-3-7-11-17)29-23(32)21-22(31)18-12-13-30(15-16-8-4-2-5-9-16)24(33)20(18)19(14-27)28-21/h2-13,31H,15H2,1H3,(H,29,32)(H,34,35)
InChIKeyGXNZZNIIIUQTBX-UHFFFAOYSA-N
MW468.47 g/mol
LogP2.75
Rot. Bonds6

About 2-[(7-benzyl-1-cyano-4-hydroxy-8-oxo-2,7-naphthyridine-3-carbonyl)amino]-2-phenylpropanoic acid

2-[(7-benzyl-1-cyano-4-hydroxy-8-oxo-2,7-naphthyridine-3-carbonyl)amino]-2-phenylpropanoic acid (PubChem CID 118890663) has the molecular formula C26H20N4O5 and a molecular weight of 468.47 g/mol. Its IUPAC name is 2-[(7-benzyl-1-cyano-4-hydroxy-8-oxo-2,7-naphthyridine-3-carbonyl)amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-[(7-benzyl-1-cyano-4-hydroxy-8-oxo-2,7-naphthyridine-3-carbonyl)amino]-2-phenylpropanoic acid
PubChem CID118890663
Molecular FormulaC26H20N4O5
Molecular Weight468.47 g/mol
Exact Mass468.14
IUPAC Name2-[(7-benzyl-1-cyano-4-hydroxy-8-oxo-2,7-naphthyridine-3-carbonyl)amino]-2-phenylpropanoic acid
SMILESCC(NC(=O)c1nc(C#N)c2c(=O)n(Cc3ccccc3)ccc2c1O)(C(=O)O)c1ccccc1
InChIInChI=1S/C26H20N4O5/c1-26(25(34)35,17-10-6-3-7-11-17)29-23(32)21-22(31)18-12-13-30(15-16-8-4-2-5-9-16)24(33)20(18)19(14-27)28-21/h2-13,31H,15H2,1H3,(H,29,32)(H,34,35)
InChIKeyGXNZZNIIIUQTBX-UHFFFAOYSA-N
XLogP2.75
TPSA145.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.47
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[(7-benzyl-1-cyano-4-hydroxy-8-oxo-2,7-naphthyridine-3-carbonyl)amino]-2-phenylpropanoic acid with MolForge

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Related Compounds

4-benzyl-N-tert-butyl-3-oxopyrazine-2-carboxamide
CID 59304332
6-benzyl-4-hydroxy-1-iodo-5-oxo-2,6-naphthyridine-3-carboxylic acid
CID 141445682
methyl 4-hydroxy-1-iodo-8-oxo-7-(2-phenylethyl)-2,7-naphthyridine-3-carboxylate
CID 174713333
2-benzyl-7-tert-butylisoquinolin-1-one
CID 177299372
(2S)-2-benzamido-2-phenylpropanoic acid
CID 10967539
1-benzyl-8-cyano-5-hydroxy-N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-oxo-3-phenyl-1,7-naphthyridine-6-carboxamide
CID 86714134
2-[(1-cyano-4-hydroxy-8-phenoxyisoquinoline-3-carbonyl)amino]propanoic acid
CID 67110270
2-phenyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propanoic acid
CID 167936768
4-(aminomethyl)-1-benzyl-3-hydroxypyridin-2-one
CID 58252389
(2R)-2-acetamido-2-phenylpropanoic acid
CID 91535796
4-amino-1-benzyl-2-oxopyridine-3-carbonitrile
CID 794120
2-[(4-cyano-7-hydroxy-2-phenyl-[1,3]thiazolo[5,4-c]pyridine-6-carbonyl)amino]acetic acid
CID 24757418

Frequently Asked Questions

What is the IUPAC name of 2-[(7-benzyl-1-cyano-4-hydroxy-8-oxo-2,7-naphthyridine-3-carbonyl)amino]-2-phenylpropanoic acid?
The IUPAC name of 2-[(7-benzyl-1-cyano-4-hydroxy-8-oxo-2,7-naphthyridine-3-carbonyl)amino]-2-phenylpropanoic acid (CID 118890663) is 2-[(7-benzyl-1-cyano-4-hydroxy-8-oxo-2,7-naphthyridine-3-carbonyl)amino]-2-phenylpropanoic acid.
What is the SMILES notation for 2-[(7-benzyl-1-cyano-4-hydroxy-8-oxo-2,7-naphthyridine-3-carbonyl)amino]-2-phenylpropanoic acid?
The canonical SMILES for 2-[(7-benzyl-1-cyano-4-hydroxy-8-oxo-2,7-naphthyridine-3-carbonyl)amino]-2-phenylpropanoic acid is CC(NC(=O)c1nc(C#N)c2c(=O)n(Cc3ccccc3)ccc2c1O)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[(7-benzyl-1-cyano-4-hydroxy-8-oxo-2,7-naphthyridine-3-carbonyl)amino]-2-phenylpropanoic acid?
The InChIKey is GXNZZNIIIUQTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O5/c1-26(25(34)35,17-10-6-3-7-11-17)29-23(32)21-22(31)18-12-13-30(15-16-8-4-2-5-9-16)24(33)20(18)19(14-27)28-21/h2-13,31H,15H2,1H3,(H,29,32)(H,34,35).
What are the key properties of 2-[(7-benzyl-1-cyano-4-hydroxy-8-oxo-2,7-naphthyridine-3-carbonyl)amino]-2-phenylpropanoic acid?
2-[(7-benzyl-1-cyano-4-hydroxy-8-oxo-2,7-naphthyridine-3-carbonyl)amino]-2-phenylpropanoic acid has a molecular weight of 468.47 g/mol, XLogP of 2.75, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-benzyl-1-cyano-4-hydroxy-8-oxo-2,7-naphthyridine-3-carbonyl)amino]-2-phenylpropanoic acid is sourced from PubChem (CID 118890663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).