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

C15H20N4 — CID 81198880

IUPAC6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-2-carbonitrile
SMILESCN1CCCC2CN(c3cccc(C#N)n3)CCC21
InChIInChI=1S/C15H20N4/c1-18-8-3-4-12-11-19(9-7-14(12)18)15-6-2-5-13(10-16)17-15/h2,5-6,12,14H,3-4,7-9,11H2,1H3
InChIKeyINZGPICTWAMWNP-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.87
Rot. Bonds1

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

6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-2-carbonitrile (PubChem CID 81198880) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-2-carbonitrile
PubChem CID81198880
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-2-carbonitrile
SMILESCN1CCCC2CN(c3cccc(C#N)n3)CCC21
InChIInChI=1S/C15H20N4/c1-18-8-3-4-12-11-19(9-7-14(12)18)15-6-2-5-13(10-16)17-15/h2,5-6,12,14H,3-4,7-9,11H2,1H3
InChIKeyINZGPICTWAMWNP-UHFFFAOYSA-N
XLogP1.87
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-2-carbonitrile with MolForge

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Related Compounds

6-(3,4-dimethylpiperazin-1-yl)pyridine-2-carbonitrile
CID 64595716
6-(3-pyrrolidin-2-ylpiperidin-1-yl)pyridine-2-carbonitrile
CID 64587185
6-(4-aminopiperidin-1-yl)pyridine-2-carbonitrile
CID 64587586
6-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpiperidin-1-yl]pyridine-2-carbonitrile
CID 56861281
6-(6-chloropyridazin-3-yl)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81199920
4-bromo-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)benzonitrile
CID 114902056
N-methyl-1-[6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyrazin-2-yl]methanamine
CID 81199271
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carbonitrile
CID 78995478
6-[5-chloro-6-(chloromethyl)-2-pyridinyl]-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81199801
(4aS,8aS)-7-(6-cyano-2-pyridinyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-4a-carboxylic acid
CID 135091638
6-[4-[(2R)-oxolan-2-yl]piperidin-1-yl]pyridine-2-carbonitrile
CID 129476628
N-[1-(6-cyano-2-pyridinyl)piperidin-3-yl]-N-methylcyclopropanecarboxamide
CID 166605930

Frequently Asked Questions

What is the IUPAC name of 6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-2-carbonitrile?
The IUPAC name of 6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-2-carbonitrile (CID 81198880) is 6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-2-carbonitrile?
The canonical SMILES for 6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-2-carbonitrile is CN1CCCC2CN(c3cccc(C#N)n3)CCC21.
What is the InChIKey of 6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-2-carbonitrile?
The InChIKey is INZGPICTWAMWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-18-8-3-4-12-11-19(9-7-14(12)18)15-6-2-5-13(10-16)17-15/h2,5-6,12,14H,3-4,7-9,11H2,1H3.
What are the key properties of 6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-2-carbonitrile?
6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-2-carbonitrile has a molecular weight of 256.35 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 81198880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).