1-ethyl-2-oxo-3-phenyl-1,6-naphthyridine-7-carbonitrile

C17H13N3O — CID 118400055

IUPAC1-ethyl-2-oxo-3-phenyl-1,6-naphthyridine-7-carbonitrile
SMILESCCn1c(=O)c(-c2ccccc2)cc2cnc(C#N)cc21
InChIInChI=1S/C17H13N3O/c1-2-20-16-9-14(10-18)19-11-13(16)8-15(17(20)21)12-6-4-3-5-7-12/h3-9,11H,2H2,1H3
InChIKeyLZUSQINKDGDYAB-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.96
Rot. Bonds2

About 1-ethyl-2-oxo-3-phenyl-1,6-naphthyridine-7-carbonitrile

1-ethyl-2-oxo-3-phenyl-1,6-naphthyridine-7-carbonitrile (PubChem CID 118400055) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-ethyl-2-oxo-3-phenyl-1,6-naphthyridine-7-carbonitrile.

Molecular Properties

Compound Name1-ethyl-2-oxo-3-phenyl-1,6-naphthyridine-7-carbonitrile
PubChem CID118400055
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name1-ethyl-2-oxo-3-phenyl-1,6-naphthyridine-7-carbonitrile
SMILESCCn1c(=O)c(-c2ccccc2)cc2cnc(C#N)cc21
InChIInChI=1S/C17H13N3O/c1-2-20-16-9-14(10-18)19-11-13(16)8-15(17(20)21)12-6-4-3-5-7-12/h3-9,11H,2H2,1H3
InChIKeyLZUSQINKDGDYAB-UHFFFAOYSA-N
XLogP2.96
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-oxo-3-phenyl-1,6-naphthyridine-7-carbonitrile?
The IUPAC name of 1-ethyl-2-oxo-3-phenyl-1,6-naphthyridine-7-carbonitrile (CID 118400055) is 1-ethyl-2-oxo-3-phenyl-1,6-naphthyridine-7-carbonitrile.
What is the SMILES notation for 1-ethyl-2-oxo-3-phenyl-1,6-naphthyridine-7-carbonitrile?
The canonical SMILES for 1-ethyl-2-oxo-3-phenyl-1,6-naphthyridine-7-carbonitrile is CCn1c(=O)c(-c2ccccc2)cc2cnc(C#N)cc21.
What is the InChIKey of 1-ethyl-2-oxo-3-phenyl-1,6-naphthyridine-7-carbonitrile?
The InChIKey is LZUSQINKDGDYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c1-2-20-16-9-14(10-18)19-11-13(16)8-15(17(20)21)12-6-4-3-5-7-12/h3-9,11H,2H2,1H3.
What are the key properties of 1-ethyl-2-oxo-3-phenyl-1,6-naphthyridine-7-carbonitrile?
1-ethyl-2-oxo-3-phenyl-1,6-naphthyridine-7-carbonitrile has a molecular weight of 275.31 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-oxo-3-phenyl-1,6-naphthyridine-7-carbonitrile is sourced from PubChem (CID 118400055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).