3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile

C15H20N4 — CID 63169618

IUPAC3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1CN1CCC(N2CCCC2)C1
InChIInChI=1S/C15H20N4/c16-10-15-13(4-3-6-17-15)11-18-9-5-14(12-18)19-7-1-2-8-19/h3-4,6,14H,1-2,5,7-9,11-12H2
InChIKeyLTRXJTMAHYBIPF-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.62
Rot. Bonds3

About 3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile

3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile (PubChem CID 63169618) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile
PubChem CID63169618
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1CN1CCC(N2CCCC2)C1
InChIInChI=1S/C15H20N4/c16-10-15-13(4-3-6-17-15)11-18-9-5-14(12-18)19-7-1-2-8-19/h3-4,6,14H,1-2,5,7-9,11-12H2
InChIKeyLTRXJTMAHYBIPF-UHFFFAOYSA-N
XLogP1.62
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-cyclopentylpiperazin-1-yl)methyl]pyridine-2-carbonitrile
CID 62920093
3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridin-2-amine
CID 55157982
2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]benzonitrile
CID 55136618
N-methyl-3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridin-2-amine
CID 63165530
1-[(2-cyano-3-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 62893250
3-[[4-(3-aminopyrazol-1-yl)piperidin-1-yl]methyl]pyridine-2-carbonitrile
CID 107110060
3-[[3-(methylaminomethyl)piperidin-1-yl]methyl]pyridine-2-carbonitrile
CID 62894272
methyl (3S)-1-[(2-cyano-3-pyridinyl)methyl]piperidine-3-carboxylate
CID 115537508
3-[(3-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile
CID 65448111
3-[(2-methyl-1,4-oxazepan-4-yl)methyl]pyridine-2-carbonitrile
CID 55153333
2-[1-[(2-cyano-3-pyridinyl)methyl]piperidin-3-yl]acetic acid
CID 62893419
3-[(3-propoxypiperidin-1-yl)methyl]pyridine-2-carbonitrile
CID 62919235

Frequently Asked Questions

What is the IUPAC name of 3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile (CID 63169618) is 3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile is N#Cc1ncccc1CN1CCC(N2CCCC2)C1.
What is the InChIKey of 3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile?
The InChIKey is LTRXJTMAHYBIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c16-10-15-13(4-3-6-17-15)11-18-9-5-14(12-18)19-7-1-2-8-19/h3-4,6,14H,1-2,5,7-9,11-12H2.
What are the key properties of 3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile?
3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile has a molecular weight of 256.35 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63169618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).