7-methyl-5-(2-methylphenyl)-8-oxo-1,7-naphthyridine-6-carbonitrile

C17H13N3O — CID 23364045

IUPAC7-methyl-5-(2-methylphenyl)-8-oxo-1,7-naphthyridine-6-carbonitrile
SMILESCc1ccccc1-c1c(C#N)n(C)c(=O)c2ncccc12
InChIInChI=1S/C17H13N3O/c1-11-6-3-4-7-12(11)15-13-8-5-9-19-16(13)17(21)20(2)14(15)10-18/h3-9H,1-2H3
InChIKeyBJUQLUMXSFHVOI-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.78
Rot. Bonds1

About 7-methyl-5-(2-methylphenyl)-8-oxo-1,7-naphthyridine-6-carbonitrile

7-methyl-5-(2-methylphenyl)-8-oxo-1,7-naphthyridine-6-carbonitrile (PubChem CID 23364045) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is 7-methyl-5-(2-methylphenyl)-8-oxo-1,7-naphthyridine-6-carbonitrile.

Molecular Properties

Compound Name7-methyl-5-(2-methylphenyl)-8-oxo-1,7-naphthyridine-6-carbonitrile
PubChem CID23364045
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name7-methyl-5-(2-methylphenyl)-8-oxo-1,7-naphthyridine-6-carbonitrile
SMILESCc1ccccc1-c1c(C#N)n(C)c(=O)c2ncccc12
InChIInChI=1S/C17H13N3O/c1-11-6-3-4-7-12(11)15-13-8-5-9-19-16(13)17(21)20(2)14(15)10-18/h3-9H,1-2H3
InChIKeyBJUQLUMXSFHVOI-UHFFFAOYSA-N
XLogP2.78
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-(2-methylphenyl)-8-oxo-1,7-naphthyridine-6-carbonitrile?
The IUPAC name of 7-methyl-5-(2-methylphenyl)-8-oxo-1,7-naphthyridine-6-carbonitrile (CID 23364045) is 7-methyl-5-(2-methylphenyl)-8-oxo-1,7-naphthyridine-6-carbonitrile.
What is the SMILES notation for 7-methyl-5-(2-methylphenyl)-8-oxo-1,7-naphthyridine-6-carbonitrile?
The canonical SMILES for 7-methyl-5-(2-methylphenyl)-8-oxo-1,7-naphthyridine-6-carbonitrile is Cc1ccccc1-c1c(C#N)n(C)c(=O)c2ncccc12.
What is the InChIKey of 7-methyl-5-(2-methylphenyl)-8-oxo-1,7-naphthyridine-6-carbonitrile?
The InChIKey is BJUQLUMXSFHVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c1-11-6-3-4-7-12(11)15-13-8-5-9-19-16(13)17(21)20(2)14(15)10-18/h3-9H,1-2H3.
What are the key properties of 7-methyl-5-(2-methylphenyl)-8-oxo-1,7-naphthyridine-6-carbonitrile?
7-methyl-5-(2-methylphenyl)-8-oxo-1,7-naphthyridine-6-carbonitrile has a molecular weight of 275.31 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-(2-methylphenyl)-8-oxo-1,7-naphthyridine-6-carbonitrile is sourced from PubChem (CID 23364045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).