2-methyl-3-pyridin-3-yl-2-pyrrolidin-1-ylpropanenitrile

C13H17N3 — CID 82078667

IUPAC2-methyl-3-pyridin-3-yl-2-pyrrolidin-1-ylpropanenitrile
SMILESCC(C#N)(Cc1cccnc1)N1CCCC1
InChIInChI=1S/C13H17N3/c1-13(11-14,16-7-2-3-8-16)9-12-5-4-6-15-10-12/h4-6,10H,2-3,7-9H2,1H3
InChIKeyDLTRCJKXLXKGSF-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.00
Rot. Bonds3

About 2-methyl-3-pyridin-3-yl-2-pyrrolidin-1-ylpropanenitrile

2-methyl-3-pyridin-3-yl-2-pyrrolidin-1-ylpropanenitrile (PubChem CID 82078667) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-methyl-3-pyridin-3-yl-2-pyrrolidin-1-ylpropanenitrile.

Molecular Properties

Compound Name2-methyl-3-pyridin-3-yl-2-pyrrolidin-1-ylpropanenitrile
PubChem CID82078667
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-methyl-3-pyridin-3-yl-2-pyrrolidin-1-ylpropanenitrile
SMILESCC(C#N)(Cc1cccnc1)N1CCCC1
InChIInChI=1S/C13H17N3/c1-13(11-14,16-7-2-3-8-16)9-12-5-4-6-15-10-12/h4-6,10H,2-3,7-9H2,1H3
InChIKeyDLTRCJKXLXKGSF-UHFFFAOYSA-N
XLogP2.00
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-morpholin-4-yl-3-pyridin-3-ylpropanenitrile
CID 82082122
2-(azepan-1-yl)-3-(2-fluorophenyl)-2-methylpropanenitrile
CID 84751667
3-(2,2-dimethylpropyl)pyridine;methane
CID 160666805
2-methyl-2-morpholin-4-yl-3-phenylpropanenitrile
CID 82081834
3-methyl-1-pyridin-3-yl-3-pyrrolidin-1-ylpentan-2-amine
CID 104736500
3-methyl-1-pyridin-3-yl-3-pyrrolidin-1-ylpentan-2-one
CID 104735994
N-ethyl-3-methyl-1-pyridin-3-yl-3-pyrrolidin-1-ylbutan-2-amine
CID 104736482
3-ethyl-1-pyridin-3-yl-3-pyrrolidin-1-ylpentan-2-ol
CID 104736143
2-(azepan-1-yl)-2-methyl-3-(1H-pyrrol-2-yl)propanenitrile
CID 84751682
2-methyl-1-pyridin-3-ylpropan-2-amine;dihydrochloride
CID 131637820
3-methyl-N-propyl-1-pyridin-3-yl-3-pyrrolidin-1-ylbutan-2-amine
CID 104736483
3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-pyridin-3-yl-2-pyrrolidin-1-ylpropanenitrile?
The IUPAC name of 2-methyl-3-pyridin-3-yl-2-pyrrolidin-1-ylpropanenitrile (CID 82078667) is 2-methyl-3-pyridin-3-yl-2-pyrrolidin-1-ylpropanenitrile.
What is the SMILES notation for 2-methyl-3-pyridin-3-yl-2-pyrrolidin-1-ylpropanenitrile?
The canonical SMILES for 2-methyl-3-pyridin-3-yl-2-pyrrolidin-1-ylpropanenitrile is CC(C#N)(Cc1cccnc1)N1CCCC1.
What is the InChIKey of 2-methyl-3-pyridin-3-yl-2-pyrrolidin-1-ylpropanenitrile?
The InChIKey is DLTRCJKXLXKGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-13(11-14,16-7-2-3-8-16)9-12-5-4-6-15-10-12/h4-6,10H,2-3,7-9H2,1H3.
What are the key properties of 2-methyl-3-pyridin-3-yl-2-pyrrolidin-1-ylpropanenitrile?
2-methyl-3-pyridin-3-yl-2-pyrrolidin-1-ylpropanenitrile has a molecular weight of 215.30 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-pyridin-3-yl-2-pyrrolidin-1-ylpropanenitrile is sourced from PubChem (CID 82078667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).