6-(3-propan-2-ylpyrrolidin-1-yl)pyridine-3-carbonitrile

C13H17N3 — CID 112698394

IUPAC6-(3-propan-2-ylpyrrolidin-1-yl)pyridine-3-carbonitrile
SMILESCC(C)C1CCN(c2ccc(C#N)cn2)C1
InChIInChI=1S/C13H17N3/c1-10(2)12-5-6-16(9-12)13-4-3-11(7-14)8-15-13/h3-4,8,10,12H,5-6,9H2,1-2H3
InChIKeyGZBQIFVWKYMQFT-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.44
Rot. Bonds2

About 6-(3-propan-2-ylpyrrolidin-1-yl)pyridine-3-carbonitrile

6-(3-propan-2-ylpyrrolidin-1-yl)pyridine-3-carbonitrile (PubChem CID 112698394) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 6-(3-propan-2-ylpyrrolidin-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(3-propan-2-ylpyrrolidin-1-yl)pyridine-3-carbonitrile
PubChem CID112698394
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name6-(3-propan-2-ylpyrrolidin-1-yl)pyridine-3-carbonitrile
SMILESCC(C)C1CCN(c2ccc(C#N)cn2)C1
InChIInChI=1S/C13H17N3/c1-10(2)12-5-6-16(9-12)13-4-3-11(7-14)8-15-13/h3-4,8,10,12H,5-6,9H2,1-2H3
InChIKeyGZBQIFVWKYMQFT-UHFFFAOYSA-N
XLogP2.44
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-propan-2-ylpyrrolidin-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 6-(3-propan-2-ylpyrrolidin-1-yl)pyridine-3-carbonitrile (CID 112698394) is 6-(3-propan-2-ylpyrrolidin-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(3-propan-2-ylpyrrolidin-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(3-propan-2-ylpyrrolidin-1-yl)pyridine-3-carbonitrile is CC(C)C1CCN(c2ccc(C#N)cn2)C1.
What is the InChIKey of 6-(3-propan-2-ylpyrrolidin-1-yl)pyridine-3-carbonitrile?
The InChIKey is GZBQIFVWKYMQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-10(2)12-5-6-16(9-12)13-4-3-11(7-14)8-15-13/h3-4,8,10,12H,5-6,9H2,1-2H3.
What are the key properties of 6-(3-propan-2-ylpyrrolidin-1-yl)pyridine-3-carbonitrile?
6-(3-propan-2-ylpyrrolidin-1-yl)pyridine-3-carbonitrile has a molecular weight of 215.30 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-propan-2-ylpyrrolidin-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 112698394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).