6-(1-methylpyrrolidin-2-yl)pyridine-3-carbonitrile

C11H13N3 — CID 115017325

IUPAC6-(1-methylpyrrolidin-2-yl)pyridine-3-carbonitrile
SMILESCN1CCCC1c1ccc(C#N)cn1
InChIInChI=1S/C11H13N3/c1-14-6-2-3-11(14)10-5-4-9(7-12)8-13-10/h4-5,8,11H,2-3,6H2,1H3
InChIKeyLMTBCWJTPLWZCA-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.72
Rot. Bonds1

About 6-(1-methylpyrrolidin-2-yl)pyridine-3-carbonitrile

6-(1-methylpyrrolidin-2-yl)pyridine-3-carbonitrile (PubChem CID 115017325) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 6-(1-methylpyrrolidin-2-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(1-methylpyrrolidin-2-yl)pyridine-3-carbonitrile
PubChem CID115017325
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name6-(1-methylpyrrolidin-2-yl)pyridine-3-carbonitrile
SMILESCN1CCCC1c1ccc(C#N)cn1
InChIInChI=1S/C11H13N3/c1-14-6-2-3-11(14)10-5-4-9(7-12)8-13-10/h4-5,8,11H,2-3,6H2,1H3
InChIKeyLMTBCWJTPLWZCA-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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Related Compounds

6-(1-methylpiperidin-4-yl)pyridine-3-carbonitrile
CID 115022328
4-(1-methylpyrrolidin-2-yl)pyridine-3-carbonitrile
CID 115017322
6-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 133279943
4-(1-methylpyrrolidin-2-yl)-6-phenylpyrimidine
CID 123600076
6-imidazolidin-2-ylpyridine-3-carbonitrile
CID 70037245
6-(4-methylazepan-1-yl)pyridine-3-carbonitrile
CID 62045126
6-(1-methylpiperidin-2-yl)pyridazin-3-amine
CID 117105860
6-(4-methylidenecyclohexyl)pyridine-3-carbonitrile
CID 90890322
2-bromo-6-[(2R)-1-methylpyrrolidin-2-yl]pyridine
CID 124641952
6-[1-(7-bicyclo[4.1.0]heptanylsulfonyl)piperidin-4-yl]pyridine-3-carbonitrile
CID 155956863
3-[6-[(2R)-1-methylpyrrolidin-2-yl]-3-pyridinyl]benzamide
CID 95813262
2-(1-tert-butylpyrrolidin-2-yl)-5-methylpyridine
CID 121450458

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrrolidin-2-yl)pyridine-3-carbonitrile?
The IUPAC name of 6-(1-methylpyrrolidin-2-yl)pyridine-3-carbonitrile (CID 115017325) is 6-(1-methylpyrrolidin-2-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(1-methylpyrrolidin-2-yl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(1-methylpyrrolidin-2-yl)pyridine-3-carbonitrile is CN1CCCC1c1ccc(C#N)cn1.
What is the InChIKey of 6-(1-methylpyrrolidin-2-yl)pyridine-3-carbonitrile?
The InChIKey is LMTBCWJTPLWZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-14-6-2-3-11(14)10-5-4-9(7-12)8-13-10/h4-5,8,11H,2-3,6H2,1H3.
What are the key properties of 6-(1-methylpyrrolidin-2-yl)pyridine-3-carbonitrile?
6-(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 6-(1-methylpyrrolidin-2-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 115017325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).