2-methyl-6-(4-oxo-1,5,7,8-tetrahydro-1,6-naphthyridin-6-yl)pyridine-3-carbonitrile

C15H14N4O — CID 138015330

IUPAC2-methyl-6-(4-oxo-1,5,7,8-tetrahydro-1,6-naphthyridin-6-yl)pyridine-3-carbonitrile
SMILESCc1nc(N2CCc3[nH]ccc(=O)c3C2)ccc1C#N
InChIInChI=1S/C15H14N4O/c1-10-11(8-16)2-3-15(18-10)19-7-5-13-12(9-19)14(20)4-6-17-13/h2-4,6H,5,7,9H2,1H3,(H,17,20)
InChIKeyVUOAJHOSCKAQCD-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.51
Rot. Bonds1

About 2-methyl-6-(4-oxo-1,5,7,8-tetrahydro-1,6-naphthyridin-6-yl)pyridine-3-carbonitrile

2-methyl-6-(4-oxo-1,5,7,8-tetrahydro-1,6-naphthyridin-6-yl)pyridine-3-carbonitrile (PubChem CID 138015330) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-methyl-6-(4-oxo-1,5,7,8-tetrahydro-1,6-naphthyridin-6-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methyl-6-(4-oxo-1,5,7,8-tetrahydro-1,6-naphthyridin-6-yl)pyridine-3-carbonitrile
PubChem CID138015330
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name2-methyl-6-(4-oxo-1,5,7,8-tetrahydro-1,6-naphthyridin-6-yl)pyridine-3-carbonitrile
SMILESCc1nc(N2CCc3[nH]ccc(=O)c3C2)ccc1C#N
InChIInChI=1S/C15H14N4O/c1-10-11(8-16)2-3-15(18-10)19-7-5-13-12(9-19)14(20)4-6-17-13/h2-4,6H,5,7,9H2,1H3,(H,17,20)
InChIKeyVUOAJHOSCKAQCD-UHFFFAOYSA-N
XLogP1.51
TPSA72.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-oxo-1,5,7,8-tetrahydro-1,6-naphthyridin-6-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-methyl-6-(4-oxo-1,5,7,8-tetrahydro-1,6-naphthyridin-6-yl)pyridine-3-carbonitrile (CID 138015330) is 2-methyl-6-(4-oxo-1,5,7,8-tetrahydro-1,6-naphthyridin-6-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-methyl-6-(4-oxo-1,5,7,8-tetrahydro-1,6-naphthyridin-6-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-methyl-6-(4-oxo-1,5,7,8-tetrahydro-1,6-naphthyridin-6-yl)pyridine-3-carbonitrile is Cc1nc(N2CCc3[nH]ccc(=O)c3C2)ccc1C#N.
What is the InChIKey of 2-methyl-6-(4-oxo-1,5,7,8-tetrahydro-1,6-naphthyridin-6-yl)pyridine-3-carbonitrile?
The InChIKey is VUOAJHOSCKAQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-10-11(8-16)2-3-15(18-10)19-7-5-13-12(9-19)14(20)4-6-17-13/h2-4,6H,5,7,9H2,1H3,(H,17,20).
What are the key properties of 2-methyl-6-(4-oxo-1,5,7,8-tetrahydro-1,6-naphthyridin-6-yl)pyridine-3-carbonitrile?
2-methyl-6-(4-oxo-1,5,7,8-tetrahydro-1,6-naphthyridin-6-yl)pyridine-3-carbonitrile has a molecular weight of 266.30 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-oxo-1,5,7,8-tetrahydro-1,6-naphthyridin-6-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 138015330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).