4-(1-methylpyrrolidin-2-yl)pyridine-3-carbonitrile

C11H13N3 — CID 115017322

IUPAC4-(1-methylpyrrolidin-2-yl)pyridine-3-carbonitrile
SMILESCN1CCCC1c1ccncc1C#N
InChIInChI=1S/C11H13N3/c1-14-6-2-3-11(14)10-4-5-13-8-9(10)7-12/h4-5,8,11H,2-3,6H2,1H3
InChIKeyZXISDVHVQHIHMH-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.72
Rot. Bonds1

About 4-(1-methylpyrrolidin-2-yl)pyridine-3-carbonitrile

4-(1-methylpyrrolidin-2-yl)pyridine-3-carbonitrile (PubChem CID 115017322) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 4-(1-methylpyrrolidin-2-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(1-methylpyrrolidin-2-yl)pyridine-3-carbonitrile
PubChem CID115017322
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name4-(1-methylpyrrolidin-2-yl)pyridine-3-carbonitrile
SMILESCN1CCCC1c1ccncc1C#N
InChIInChI=1S/C11H13N3/c1-14-6-2-3-11(14)10-4-5-13-8-9(10)7-12/h4-5,8,11H,2-3,6H2,1H3
InChIKeyZXISDVHVQHIHMH-UHFFFAOYSA-N
XLogP1.72
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrrolidin-2-yl)pyridine-3-carbonitrile?
The IUPAC name of 4-(1-methylpyrrolidin-2-yl)pyridine-3-carbonitrile (CID 115017322) is 4-(1-methylpyrrolidin-2-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 4-(1-methylpyrrolidin-2-yl)pyridine-3-carbonitrile?
The canonical SMILES for 4-(1-methylpyrrolidin-2-yl)pyridine-3-carbonitrile is CN1CCCC1c1ccncc1C#N.
What is the InChIKey of 4-(1-methylpyrrolidin-2-yl)pyridine-3-carbonitrile?
The InChIKey is ZXISDVHVQHIHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-14-6-2-3-11(14)10-4-5-13-8-9(10)7-12/h4-5,8,11H,2-3,6H2,1H3.
What are the key properties of 4-(1-methylpyrrolidin-2-yl)pyridine-3-carbonitrile?
4-(1-methylpyrrolidin-2-yl)pyridine-3-carbonitrile has a molecular weight of 187.25 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrrolidin-2-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 115017322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).