1-benzyl-5-hydroxy-2-oxo-3-phenyl-1,7-naphthyridine-8-carbonitrile

C22H15N3O2 — CID 141351984

IUPAC1-benzyl-5-hydroxy-2-oxo-3-phenyl-1,7-naphthyridine-8-carbonitrile
SMILESN#Cc1ncc(O)c2cc(-c3ccccc3)c(=O)n(Cc3ccccc3)c12
InChIInChI=1S/C22H15N3O2/c23-12-19-21-18(20(26)13-24-19)11-17(16-9-5-2-6-10-16)22(27)25(21)14-15-7-3-1-4-8-15/h1-11,13,26H,14H2
InChIKeyUFQGMVNZOXXQDZ-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.69
Rot. Bonds3

About 1-benzyl-5-hydroxy-2-oxo-3-phenyl-1,7-naphthyridine-8-carbonitrile

1-benzyl-5-hydroxy-2-oxo-3-phenyl-1,7-naphthyridine-8-carbonitrile (PubChem CID 141351984) has the molecular formula C22H15N3O2 and a molecular weight of 353.38 g/mol. Its IUPAC name is 1-benzyl-5-hydroxy-2-oxo-3-phenyl-1,7-naphthyridine-8-carbonitrile.

Molecular Properties

Compound Name1-benzyl-5-hydroxy-2-oxo-3-phenyl-1,7-naphthyridine-8-carbonitrile
PubChem CID141351984
Molecular FormulaC22H15N3O2
Molecular Weight353.38 g/mol
Exact Mass353.12
IUPAC Name1-benzyl-5-hydroxy-2-oxo-3-phenyl-1,7-naphthyridine-8-carbonitrile
SMILESN#Cc1ncc(O)c2cc(-c3ccccc3)c(=O)n(Cc3ccccc3)c12
InChIInChI=1S/C22H15N3O2/c23-12-19-21-18(20(26)13-24-19)11-17(16-9-5-2-6-10-16)22(27)25(21)14-15-7-3-1-4-8-15/h1-11,13,26H,14H2
InChIKeyUFQGMVNZOXXQDZ-UHFFFAOYSA-N
XLogP3.69
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-8-cyano-5-hydroxy-N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-oxo-3-phenyl-1,7-naphthyridine-6-carboxamide
CID 86714134
5-hydroxy-3-phenyl-1-(2-phenylethyl)-8-pyridin-3-yl-1,7-naphthyridin-2-one
CID 141351889
1-benzyl-5-hydroxy-2-oxo-3-phenyl-8-pyridin-2-yl-1,7-naphthyridine-6-carboxylic acid
CID 141445763
formamido 1-benzyl-5-hydroxy-2-oxo-3-phenyl-1,7-naphthyridine-6-carboxylate
CID 175297433
1-benzyl-N-cyclopropyl-5-hydroxy-2-oxo-3-phenyl-1,7-naphthyridine-6-carboxamide
CID 122512396
2,3-dichloro-1-[(3-fluorophenyl)methyl]-4-hydroxypyrrolo[2,3-c]pyridine-7-carbonitrile
CID 141191031
1-benzyl-5-hydroxy-2-oxo-3-phenyl-N-(tetrazolidin-5-ylmethyl)-1,7-naphthyridine-6-carboxamide
CID 91758383
3-[(1-benzyl-5-hydroxy-2-oxo-3-phenyl-8-pyridazin-4-yl-1,7-naphthyridine-6-carbonyl)amino]propanoic acid
CID 135981264
1-benzyl-N-cyclopropyl-5-hydroxy-2-oxo-3-phenyl-8-pyridin-3-yl-1,7-naphthyridine-6-carboxamide;carbonic acid
CID 122512383
1-ethyl-2-oxo-3-phenyl-1,6-naphthyridine-7-carbonitrile
CID 118400055
1-benzyl-5-hydroxy-3-methyl-1,7-naphthyridin-2-one
CID 90073694
1-benzyl-5-hydroxy-8-methyl-N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-oxo-3-phenyl-1,7-naphthyridine-6-carboxamide
CID 86714135

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-hydroxy-2-oxo-3-phenyl-1,7-naphthyridine-8-carbonitrile?
The IUPAC name of 1-benzyl-5-hydroxy-2-oxo-3-phenyl-1,7-naphthyridine-8-carbonitrile (CID 141351984) is 1-benzyl-5-hydroxy-2-oxo-3-phenyl-1,7-naphthyridine-8-carbonitrile.
What is the SMILES notation for 1-benzyl-5-hydroxy-2-oxo-3-phenyl-1,7-naphthyridine-8-carbonitrile?
The canonical SMILES for 1-benzyl-5-hydroxy-2-oxo-3-phenyl-1,7-naphthyridine-8-carbonitrile is N#Cc1ncc(O)c2cc(-c3ccccc3)c(=O)n(Cc3ccccc3)c12.
What is the InChIKey of 1-benzyl-5-hydroxy-2-oxo-3-phenyl-1,7-naphthyridine-8-carbonitrile?
The InChIKey is UFQGMVNZOXXQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O2/c23-12-19-21-18(20(26)13-24-19)11-17(16-9-5-2-6-10-16)22(27)25(21)14-15-7-3-1-4-8-15/h1-11,13,26H,14H2.
What are the key properties of 1-benzyl-5-hydroxy-2-oxo-3-phenyl-1,7-naphthyridine-8-carbonitrile?
1-benzyl-5-hydroxy-2-oxo-3-phenyl-1,7-naphthyridine-8-carbonitrile has a molecular weight of 353.38 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-hydroxy-2-oxo-3-phenyl-1,7-naphthyridine-8-carbonitrile is sourced from PubChem (CID 141351984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).