7-(2-methylpropyl)-8-oxo-5-phenyl-1,7-naphthyridine-6-carbonitrile

C19H17N3O — CID 22176122

IUPAC7-(2-methylpropyl)-8-oxo-5-phenyl-1,7-naphthyridine-6-carbonitrile
SMILESCC(C)Cn1c(C#N)c(-c2ccccc2)c2cccnc2c1=O
InChIInChI=1S/C19H17N3O/c1-13(2)12-22-16(11-20)17(14-7-4-3-5-8-14)15-9-6-10-21-18(15)19(22)23/h3-10,13H,12H2,1-2H3
InChIKeyCVCVWFRPCCDDCB-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.59
Rot. Bonds3

About 7-(2-methylpropyl)-8-oxo-5-phenyl-1,7-naphthyridine-6-carbonitrile

7-(2-methylpropyl)-8-oxo-5-phenyl-1,7-naphthyridine-6-carbonitrile (PubChem CID 22176122) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 7-(2-methylpropyl)-8-oxo-5-phenyl-1,7-naphthyridine-6-carbonitrile.

Molecular Properties

Compound Name7-(2-methylpropyl)-8-oxo-5-phenyl-1,7-naphthyridine-6-carbonitrile
PubChem CID22176122
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name7-(2-methylpropyl)-8-oxo-5-phenyl-1,7-naphthyridine-6-carbonitrile
SMILESCC(C)Cn1c(C#N)c(-c2ccccc2)c2cccnc2c1=O
InChIInChI=1S/C19H17N3O/c1-13(2)12-22-16(11-20)17(14-7-4-3-5-8-14)15-9-6-10-21-18(15)19(22)23/h3-10,13H,12H2,1-2H3
InChIKeyCVCVWFRPCCDDCB-UHFFFAOYSA-N
XLogP3.59
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methylpropyl)-8-oxo-5-phenyl-1,7-naphthyridine-6-carbonitrile?
The IUPAC name of 7-(2-methylpropyl)-8-oxo-5-phenyl-1,7-naphthyridine-6-carbonitrile (CID 22176122) is 7-(2-methylpropyl)-8-oxo-5-phenyl-1,7-naphthyridine-6-carbonitrile.
What is the SMILES notation for 7-(2-methylpropyl)-8-oxo-5-phenyl-1,7-naphthyridine-6-carbonitrile?
The canonical SMILES for 7-(2-methylpropyl)-8-oxo-5-phenyl-1,7-naphthyridine-6-carbonitrile is CC(C)Cn1c(C#N)c(-c2ccccc2)c2cccnc2c1=O.
What is the InChIKey of 7-(2-methylpropyl)-8-oxo-5-phenyl-1,7-naphthyridine-6-carbonitrile?
The InChIKey is CVCVWFRPCCDDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-13(2)12-22-16(11-20)17(14-7-4-3-5-8-14)15-9-6-10-21-18(15)19(22)23/h3-10,13H,12H2,1-2H3.
What are the key properties of 7-(2-methylpropyl)-8-oxo-5-phenyl-1,7-naphthyridine-6-carbonitrile?
7-(2-methylpropyl)-8-oxo-5-phenyl-1,7-naphthyridine-6-carbonitrile has a molecular weight of 303.37 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylpropyl)-8-oxo-5-phenyl-1,7-naphthyridine-6-carbonitrile is sourced from PubChem (CID 22176122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).