1-methyl-3-oxo-7-phenyl-2,5,6,8-tetrahydro-2,7-naphthyridine-4-carbonitrile

C16H15N3O — CID 14672625

IUPAC1-methyl-3-oxo-7-phenyl-2,5,6,8-tetrahydro-2,7-naphthyridine-4-carbonitrile
SMILESCc1[nH]c(=O)c(C#N)c2c1CN(c1ccccc1)CC2
InChIInChI=1S/C16H15N3O/c1-11-15-10-19(12-5-3-2-4-6-12)8-7-13(15)14(9-17)16(20)18-11/h2-6H,7-8,10H2,1H3,(H,18,20)
InChIKeyCYLAWSJNOUOFNC-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.12
Rot. Bonds1

About 1-methyl-3-oxo-7-phenyl-2,5,6,8-tetrahydro-2,7-naphthyridine-4-carbonitrile

1-methyl-3-oxo-7-phenyl-2,5,6,8-tetrahydro-2,7-naphthyridine-4-carbonitrile (PubChem CID 14672625) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-methyl-3-oxo-7-phenyl-2,5,6,8-tetrahydro-2,7-naphthyridine-4-carbonitrile.

Molecular Properties

Compound Name1-methyl-3-oxo-7-phenyl-2,5,6,8-tetrahydro-2,7-naphthyridine-4-carbonitrile
PubChem CID14672625
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name1-methyl-3-oxo-7-phenyl-2,5,6,8-tetrahydro-2,7-naphthyridine-4-carbonitrile
SMILESCc1[nH]c(=O)c(C#N)c2c1CN(c1ccccc1)CC2
InChIInChI=1S/C16H15N3O/c1-11-15-10-19(12-5-3-2-4-6-12)8-7-13(15)14(9-17)16(20)18-11/h2-6H,7-8,10H2,1H3,(H,18,20)
InChIKeyCYLAWSJNOUOFNC-UHFFFAOYSA-N
XLogP2.12
TPSA59.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-oxo-7-phenyl-2,5,6,8-tetrahydro-2,7-naphthyridine-4-carbonitrile?
The IUPAC name of 1-methyl-3-oxo-7-phenyl-2,5,6,8-tetrahydro-2,7-naphthyridine-4-carbonitrile (CID 14672625) is 1-methyl-3-oxo-7-phenyl-2,5,6,8-tetrahydro-2,7-naphthyridine-4-carbonitrile.
What is the SMILES notation for 1-methyl-3-oxo-7-phenyl-2,5,6,8-tetrahydro-2,7-naphthyridine-4-carbonitrile?
The canonical SMILES for 1-methyl-3-oxo-7-phenyl-2,5,6,8-tetrahydro-2,7-naphthyridine-4-carbonitrile is Cc1[nH]c(=O)c(C#N)c2c1CN(c1ccccc1)CC2.
What is the InChIKey of 1-methyl-3-oxo-7-phenyl-2,5,6,8-tetrahydro-2,7-naphthyridine-4-carbonitrile?
The InChIKey is CYLAWSJNOUOFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-11-15-10-19(12-5-3-2-4-6-12)8-7-13(15)14(9-17)16(20)18-11/h2-6H,7-8,10H2,1H3,(H,18,20).
What are the key properties of 1-methyl-3-oxo-7-phenyl-2,5,6,8-tetrahydro-2,7-naphthyridine-4-carbonitrile?
1-methyl-3-oxo-7-phenyl-2,5,6,8-tetrahydro-2,7-naphthyridine-4-carbonitrile has a molecular weight of 265.32 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-oxo-7-phenyl-2,5,6,8-tetrahydro-2,7-naphthyridine-4-carbonitrile is sourced from PubChem (CID 14672625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).