6-(2-naphthalen-1-ylpyrrolidin-1-yl)pyridine-2-carbonitrile

C20H17N3 — CID 133392237

IUPAC6-(2-naphthalen-1-ylpyrrolidin-1-yl)pyridine-2-carbonitrile
SMILESN#Cc1cccc(N2CCCC2c2cccc3ccccc23)n1
InChIInChI=1S/C20H17N3/c21-14-16-8-4-12-20(22-16)23-13-5-11-19(23)18-10-3-7-15-6-1-2-9-17(15)18/h1-4,6-10,12,19H,5,11,13H2
InChIKeyFEUBOJZBHFKLGI-UHFFFAOYSA-N
MW299.38 g/mol
LogP4.45
Rot. Bonds2

About 6-(2-naphthalen-1-ylpyrrolidin-1-yl)pyridine-2-carbonitrile

6-(2-naphthalen-1-ylpyrrolidin-1-yl)pyridine-2-carbonitrile (PubChem CID 133392237) has the molecular formula C20H17N3 and a molecular weight of 299.38 g/mol. Its IUPAC name is 6-(2-naphthalen-1-ylpyrrolidin-1-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(2-naphthalen-1-ylpyrrolidin-1-yl)pyridine-2-carbonitrile
PubChem CID133392237
Molecular FormulaC20H17N3
Molecular Weight299.38 g/mol
Exact Mass299.14
IUPAC Name6-(2-naphthalen-1-ylpyrrolidin-1-yl)pyridine-2-carbonitrile
SMILESN#Cc1cccc(N2CCCC2c2cccc3ccccc23)n1
InChIInChI=1S/C20H17N3/c21-14-16-8-4-12-20(22-16)23-13-5-11-19(23)18-10-3-7-15-6-1-2-9-17(15)18/h1-4,6-10,12,19H,5,11,13H2
InChIKeyFEUBOJZBHFKLGI-UHFFFAOYSA-N
XLogP4.45
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-N-(naphthalen-1-ylmethyl)pyridin-2-amine
CID 975769
3-(Benzylamino)-1-propyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 749177
7,8-Dimethyl-2-pyrrolidin-1-yl-quinoline-3-carbonitrile
CID 645132
(4,6-Dimethylpyrimidin-2-yl)(naphthalen-1-ylmethyl)cyanamide
CID 894264
2-Amino-4-[3-(methyl)phenyl]-6-phenyl-3-pyridinecarbonitrile
CID 3349998
2-(1-Pyrrolidinyl)-3-[3-(trifluoromethyl)phenyl]quinoline
CID 3784173
2-(Diethylamino)-4,6-diphenylpyridine-3-carbonitrile
CID 44522390
1-(4-Methyl-1,4-diazepan-1-yl)-3-naphthalen-1-ylisoquinoline;hydrochloride
CID 45262246
6-Methyl-1-(4-methyl-1,4-diazepan-1-yl)-3-(2-methylphenyl)isoquinoline;hydrochloride
CID 45262279
3-Methyl-1-(pentan-3-ylamino)isoquinoline-4-carbonitrile
CID 132916644
6-[Methyl(1-phenylethyl)amino]-2-(trifluoromethyl)pyridine-3-carbonitrile
CID 168295236
4,8-Dimethyl-2-(1-pyrrolidinyl)quinoline
CID 3741252

Frequently Asked Questions

What is the IUPAC name of 6-(2-naphthalen-1-ylpyrrolidin-1-yl)pyridine-2-carbonitrile?
The IUPAC name of 6-(2-naphthalen-1-ylpyrrolidin-1-yl)pyridine-2-carbonitrile (CID 133392237) is 6-(2-naphthalen-1-ylpyrrolidin-1-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(2-naphthalen-1-ylpyrrolidin-1-yl)pyridine-2-carbonitrile?
The canonical SMILES for 6-(2-naphthalen-1-ylpyrrolidin-1-yl)pyridine-2-carbonitrile is N#Cc1cccc(N2CCCC2c2cccc3ccccc23)n1.
What is the InChIKey of 6-(2-naphthalen-1-ylpyrrolidin-1-yl)pyridine-2-carbonitrile?
The InChIKey is FEUBOJZBHFKLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3/c21-14-16-8-4-12-20(22-16)23-13-5-11-19(23)18-10-3-7-15-6-1-2-9-17(15)18/h1-4,6-10,12,19H,5,11,13H2.
What are the key properties of 6-(2-naphthalen-1-ylpyrrolidin-1-yl)pyridine-2-carbonitrile?
6-(2-naphthalen-1-ylpyrrolidin-1-yl)pyridine-2-carbonitrile has a molecular weight of 299.38 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-naphthalen-1-ylpyrrolidin-1-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 133392237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).