3-[(1-benzyl-5-hydroxy-2-oxo-3-phenyl-8-pyridin-2-yl-1,7-naphthyridine-6-carbonyl)amino]propanoic acid

C30H24N4O5 — CID 135981263

IUPAC3-[(1-benzyl-5-hydroxy-2-oxo-3-phenyl-8-pyridin-2-yl-1,7-naphthyridine-6-carbonyl)amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1nc(-c2ccccn2)c2c(cc(-c3ccccc3)c(=O)n2Cc2ccccc2)c1O
InChIInChI=1S/C30H24N4O5/c35-24(36)14-16-32-29(38)26-28(37)22-17-21(20-11-5-2-6-12-20)30(39)34(18-19-9-3-1-4-10-19)27(22)25(33-26)23-13-7-8-15-31-23/h1-13,15,17,37H,14,16,18H2,(H,32,38)(H,35,36)
InChIKeyMOLDWBFQNKRBTK-UHFFFAOYSA-N
MW520.55 g/mol
LogP4.08
Rot. Bonds8

About 3-[(1-benzyl-5-hydroxy-2-oxo-3-phenyl-8-pyridin-2-yl-1,7-naphthyridine-6-carbonyl)amino]propanoic acid

3-[(1-benzyl-5-hydroxy-2-oxo-3-phenyl-8-pyridin-2-yl-1,7-naphthyridine-6-carbonyl)amino]propanoic acid (PubChem CID 135981263) has the molecular formula C30H24N4O5 and a molecular weight of 520.55 g/mol. Its IUPAC name is 3-[(1-benzyl-5-hydroxy-2-oxo-3-phenyl-8-pyridin-2-yl-1,7-naphthyridine-6-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(1-benzyl-5-hydroxy-2-oxo-3-phenyl-8-pyridin-2-yl-1,7-naphthyridine-6-carbonyl)amino]propanoic acid
PubChem CID135981263
Molecular FormulaC30H24N4O5
Molecular Weight520.55 g/mol
Exact Mass520.17
IUPAC Name3-[(1-benzyl-5-hydroxy-2-oxo-3-phenyl-8-pyridin-2-yl-1,7-naphthyridine-6-carbonyl)amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1nc(-c2ccccn2)c2c(cc(-c3ccccc3)c(=O)n2Cc2ccccc2)c1O
InChIInChI=1S/C30H24N4O5/c35-24(36)14-16-32-29(38)26-28(37)22-17-21(20-11-5-2-6-12-20)30(39)34(18-19-9-3-1-4-10-19)27(22)25(33-26)23-13-7-8-15-31-23/h1-13,15,17,37H,14,16,18H2,(H,32,38)(H,35,36)
InChIKeyMOLDWBFQNKRBTK-UHFFFAOYSA-N
XLogP4.08
TPSA134.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.55
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-benzyl-5-hydroxy-2-oxo-3-phenyl-8-pyridin-2-yl-1,7-naphthyridine-6-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[(1-benzyl-5-hydroxy-2-oxo-3-phenyl-8-pyridin-2-yl-1,7-naphthyridine-6-carbonyl)amino]propanoic acid (CID 135981263) is 3-[(1-benzyl-5-hydroxy-2-oxo-3-phenyl-8-pyridin-2-yl-1,7-naphthyridine-6-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(1-benzyl-5-hydroxy-2-oxo-3-phenyl-8-pyridin-2-yl-1,7-naphthyridine-6-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(1-benzyl-5-hydroxy-2-oxo-3-phenyl-8-pyridin-2-yl-1,7-naphthyridine-6-carbonyl)amino]propanoic acid is O=C(O)CCNC(=O)c1nc(-c2ccccn2)c2c(cc(-c3ccccc3)c(=O)n2Cc2ccccc2)c1O.
What is the InChIKey of 3-[(1-benzyl-5-hydroxy-2-oxo-3-phenyl-8-pyridin-2-yl-1,7-naphthyridine-6-carbonyl)amino]propanoic acid?
The InChIKey is MOLDWBFQNKRBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N4O5/c35-24(36)14-16-32-29(38)26-28(37)22-17-21(20-11-5-2-6-12-20)30(39)34(18-19-9-3-1-4-10-19)27(22)25(33-26)23-13-7-8-15-31-23/h1-13,15,17,37H,14,16,18H2,(H,32,38)(H,35,36).
What are the key properties of 3-[(1-benzyl-5-hydroxy-2-oxo-3-phenyl-8-pyridin-2-yl-1,7-naphthyridine-6-carbonyl)amino]propanoic acid?
3-[(1-benzyl-5-hydroxy-2-oxo-3-phenyl-8-pyridin-2-yl-1,7-naphthyridine-6-carbonyl)amino]propanoic acid has a molecular weight of 520.55 g/mol, XLogP of 4.08, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-benzyl-5-hydroxy-2-oxo-3-phenyl-8-pyridin-2-yl-1,7-naphthyridine-6-carbonyl)amino]propanoic acid is sourced from PubChem (CID 135981263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).