4-propan-2-yl-1,5-naphthyridine-3-carbonitrile

C12H11N3 — CID 89399746

IUPAC4-propan-2-yl-1,5-naphthyridine-3-carbonitrile
SMILESCC(C)c1c(C#N)cnc2cccnc12
InChIInChI=1S/C12H11N3/c1-8(2)11-9(6-13)7-15-10-4-3-5-14-12(10)11/h3-5,7-8H,1-2H3
InChIKeyZFYLEJPLBNBECQ-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.62
Rot. Bonds1

About 4-propan-2-yl-1,5-naphthyridine-3-carbonitrile

4-propan-2-yl-1,5-naphthyridine-3-carbonitrile (PubChem CID 89399746) has the molecular formula C12H11N3 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-propan-2-yl-1,5-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name4-propan-2-yl-1,5-naphthyridine-3-carbonitrile
PubChem CID89399746
Molecular FormulaC12H11N3
Molecular Weight197.24 g/mol
Exact Mass197.10
IUPAC Name4-propan-2-yl-1,5-naphthyridine-3-carbonitrile
SMILESCC(C)c1c(C#N)cnc2cccnc12
InChIInChI=1S/C12H11N3/c1-8(2)11-9(6-13)7-15-10-4-3-5-14-12(10)11/h3-5,7-8H,1-2H3
InChIKeyZFYLEJPLBNBECQ-UHFFFAOYSA-N
XLogP2.62
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-hydroxy-4-propan-2-ylquinoline-3-carbonitrile
CID 136866641
4-but-3-yn-2-yloxyquinoline-3-carbonitrile
CID 106794946
2,4,8,14-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene-6-carbonitrile
CID 172544365
4-propan-2-ylpyrrolo[1,2-b]pyridazine-3-carbonitrile
CID 59811854
quinoline-8-carbonitrile;trihydrochloride
CID 141468212
3-chloroquinoxaline-5-carbonitrile
CID 119083814
4-(methylamino)quinoline-3-carbonitrile
CID 43668892
ethane;5-methylquinoline-8-carbonitrile
CID 143801649
pyrido[2,3-c][1,5]naphthyridine
CID 44631737
6-[2-methyl-2-(2H-pyrazolo[4,3-b]pyridin-3-yl)propyl]-3-propan-2-yl-2H-indazole-5-carbonitrile
CID 134402291
8-aminoquinoline-7-carbonitrile
CID 13439027
7-methyl-8-propan-2-ylquinoline
CID 142451043

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1,5-naphthyridine-3-carbonitrile?
The IUPAC name of 4-propan-2-yl-1,5-naphthyridine-3-carbonitrile (CID 89399746) is 4-propan-2-yl-1,5-naphthyridine-3-carbonitrile.
What is the SMILES notation for 4-propan-2-yl-1,5-naphthyridine-3-carbonitrile?
The canonical SMILES for 4-propan-2-yl-1,5-naphthyridine-3-carbonitrile is CC(C)c1c(C#N)cnc2cccnc12.
What is the InChIKey of 4-propan-2-yl-1,5-naphthyridine-3-carbonitrile?
The InChIKey is ZFYLEJPLBNBECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3/c1-8(2)11-9(6-13)7-15-10-4-3-5-14-12(10)11/h3-5,7-8H,1-2H3.
What are the key properties of 4-propan-2-yl-1,5-naphthyridine-3-carbonitrile?
4-propan-2-yl-1,5-naphthyridine-3-carbonitrile has a molecular weight of 197.24 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1,5-naphthyridine-3-carbonitrile is sourced from PubChem (CID 89399746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).