5,6,8-trimethyl-4-oxo-1H-1,7-naphthyridine-3-carbonitrile

C12H11N3O — CID 22953001

IUPAC5,6,8-trimethyl-4-oxo-1H-1,7-naphthyridine-3-carbonitrile
SMILESCc1nc(C)c2[nH]cc(C#N)c(=O)c2c1C
InChIInChI=1S/C12H11N3O/c1-6-7(2)15-8(3)11-10(6)12(16)9(4-13)5-14-11/h5H,1-3H3,(H,14,16)
InChIKeyGDKGBLZGEFOJLV-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.72
Rot. Bonds

About 5,6,8-trimethyl-4-oxo-1H-1,7-naphthyridine-3-carbonitrile

5,6,8-trimethyl-4-oxo-1H-1,7-naphthyridine-3-carbonitrile (PubChem CID 22953001) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 5,6,8-trimethyl-4-oxo-1H-1,7-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name5,6,8-trimethyl-4-oxo-1H-1,7-naphthyridine-3-carbonitrile
PubChem CID22953001
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name5,6,8-trimethyl-4-oxo-1H-1,7-naphthyridine-3-carbonitrile
SMILESCc1nc(C)c2[nH]cc(C#N)c(=O)c2c1C
InChIInChI=1S/C12H11N3O/c1-6-7(2)15-8(3)11-10(6)12(16)9(4-13)5-14-11/h5H,1-3H3,(H,14,16)
InChIKeyGDKGBLZGEFOJLV-UHFFFAOYSA-N
XLogP1.72
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,6,7,8-tetramethyl-4-oxo-1H-quinoline-3-carbonitrile
CID 18738657
6,7,8-trimethyl-4-oxo-1H-1,5-naphthyridine-3-carbonitrile
CID 22953004
5,8-dimethoxy-4-oxo-1H-quinoline-3-carbonitrile
CID 22466603
6,8-dibromo-5-methoxy-4-oxo-1H-quinoline-3-carbonitrile
CID 103414597
4-oxo-1H-benzo[h]quinoline-3-carbonitrile
CID 24695119
6-chloro-4-oxo-1H-1,5-naphthyridine-3-carbonitrile
CID 131849320
8-iodo-4-oxo-1H-quinoline-3-carbonitrile
CID 28978423
6,8-dibromo-4-oxo-1H-quinoline-3-carbonitrile
CID 61474799
6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonitrile
CID 130076424
7-chloro-4-oxo-1H-1,8-naphthyridine-3-carbonitrile
CID 146013293
4-oxo-7,8-bis(sulfanyl)-6-sulfanylidene-1,5-dihydro-1,5-naphthyridine-3-carbonitrile
CID 142025665
7-methoxy-4-oxo-1H-benzo[h]quinoline-3-carbonitrile
CID 69372063

Frequently Asked Questions

What is the IUPAC name of 5,6,8-trimethyl-4-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The IUPAC name of 5,6,8-trimethyl-4-oxo-1H-1,7-naphthyridine-3-carbonitrile (CID 22953001) is 5,6,8-trimethyl-4-oxo-1H-1,7-naphthyridine-3-carbonitrile.
What is the SMILES notation for 5,6,8-trimethyl-4-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The canonical SMILES for 5,6,8-trimethyl-4-oxo-1H-1,7-naphthyridine-3-carbonitrile is Cc1nc(C)c2[nH]cc(C#N)c(=O)c2c1C.
What is the InChIKey of 5,6,8-trimethyl-4-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The InChIKey is GDKGBLZGEFOJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c1-6-7(2)15-8(3)11-10(6)12(16)9(4-13)5-14-11/h5H,1-3H3,(H,14,16).
What are the key properties of 5,6,8-trimethyl-4-oxo-1H-1,7-naphthyridine-3-carbonitrile?
5,6,8-trimethyl-4-oxo-1H-1,7-naphthyridine-3-carbonitrile has a molecular weight of 213.24 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,8-trimethyl-4-oxo-1H-1,7-naphthyridine-3-carbonitrile is sourced from PubChem (CID 22953001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).