2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carbonitrile

C15H9N3O — CID 131842504

IUPAC2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carbonitrile
SMILESN#Cc1cc2ccc(-c3ccccc3)nc2[nH]c1=O
InChIInChI=1S/C15H9N3O/c16-9-12-8-11-6-7-13(10-4-2-1-3-5-10)17-14(11)18-15(12)19/h1-8H,(H,17,18,19)
InChIKeyWQZSJOAPPRQHJM-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.46
Rot. Bonds1

About 2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carbonitrile

2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carbonitrile (PubChem CID 131842504) has the molecular formula C15H9N3O and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carbonitrile
PubChem CID131842504
Molecular FormulaC15H9N3O
Molecular Weight247.26 g/mol
Exact Mass247.07
IUPAC Name2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carbonitrile
SMILESN#Cc1cc2ccc(-c3ccccc3)nc2[nH]c1=O
InChIInChI=1S/C15H9N3O/c16-9-12-8-11-6-7-13(10-4-2-1-3-5-10)17-14(11)18-15(12)19/h1-8H,(H,17,18,19)
InChIKeyWQZSJOAPPRQHJM-UHFFFAOYSA-N
XLogP2.46
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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6-methoxy-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile
CID 13101635
ethane;6-(4-methylphenyl)-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile
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2-oxo-6-phenyl-5-phenyldiazenyl-1H-pyridine-3-carbonitrile
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2-[3,5-bis[5-(6-phenylpyridazin-3-yl)naphthalen-1-yl]phenyl]benzonitrile
CID 170215173
6-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
CID 133096126
8-oxo-9H-[1,3]thiazolo[5,4-h]quinoline-7-carbonitrile
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7,8-difluoro-2-oxo-1H-quinoline-3-carbonitrile
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2-[2-[5-[4-(2-cyanophenyl)-6-phenylpyrimidin-2-yl]naphthalen-1-yl]-6-phenylpyrimidin-4-yl]benzonitrile
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CID 118939062

Frequently Asked Questions

What is the IUPAC name of 2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carbonitrile?
The IUPAC name of 2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carbonitrile (CID 131842504) is 2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carbonitrile.
What is the SMILES notation for 2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carbonitrile?
The canonical SMILES for 2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carbonitrile is N#Cc1cc2ccc(-c3ccccc3)nc2[nH]c1=O.
What is the InChIKey of 2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carbonitrile?
The InChIKey is WQZSJOAPPRQHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O/c16-9-12-8-11-6-7-13(10-4-2-1-3-5-10)17-14(11)18-15(12)19/h1-8H,(H,17,18,19).
What are the key properties of 2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carbonitrile?
2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carbonitrile has a molecular weight of 247.26 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carbonitrile is sourced from PubChem (CID 131842504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).