6-(2-pyrrolidin-1-ylethoxy)pyridine-3-carbonitrile

C12H15N3O — CID 55137110

IUPAC6-(2-pyrrolidin-1-ylethoxy)pyridine-3-carbonitrile
SMILESN#Cc1ccc(OCCN2CCCC2)nc1
InChIInChI=1S/C12H15N3O/c13-9-11-3-4-12(14-10-11)16-8-7-15-5-1-2-6-15/h3-4,10H,1-2,5-8H2
InChIKeyPDLNHLRKZYVYJX-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.43
Rot. Bonds4

About 6-(2-pyrrolidin-1-ylethoxy)pyridine-3-carbonitrile

6-(2-pyrrolidin-1-ylethoxy)pyridine-3-carbonitrile (PubChem CID 55137110) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 6-(2-pyrrolidin-1-ylethoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(2-pyrrolidin-1-ylethoxy)pyridine-3-carbonitrile
PubChem CID55137110
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name6-(2-pyrrolidin-1-ylethoxy)pyridine-3-carbonitrile
SMILESN#Cc1ccc(OCCN2CCCC2)nc1
InChIInChI=1S/C12H15N3O/c13-9-11-3-4-12(14-10-11)16-8-7-15-5-1-2-6-15/h3-4,10H,1-2,5-8H2
InChIKeyPDLNHLRKZYVYJX-UHFFFAOYSA-N
XLogP1.43
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)pyridine
CID 67960770
4-methyl-3-(2-piperidin-1-ylethoxy)benzonitrile
CID 103760393
5-phenyl-2-(2-piperidin-1-ylethoxy)pyridine
CID 126471382
2-methyl-6-(2-piperidin-1-ylethoxy)pyridine-4-carbonitrile
CID 114766899
6-[5-(4-cyanophenoxy)pentoxy]pyridine-3-carbonitrile
CID 150538263
6-(2-ethoxyethoxy)pyridine-3-carbonitrile
CID 22939609
4-(3-piperidin-1-ylpropoxy)benzonitrile
CID 2994072
6-[2-(methylamino)ethoxy]pyridine-3-carbonitrile
CID 62349619
6-[2-(propan-2-ylamino)ethoxy]pyridine-3-carbonitrile
CID 62348286
3-[5-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]benzimidazol-1-yl]benzonitrile
CID 22117172
6-(4,4,4-trifluorobutoxy)pyridine-3-carbonitrile
CID 82788068
5-bromo-2-(3-pyrrolidin-1-ylpropoxy)pyridine
CID 118523377

Frequently Asked Questions

What is the IUPAC name of 6-(2-pyrrolidin-1-ylethoxy)pyridine-3-carbonitrile?
The IUPAC name of 6-(2-pyrrolidin-1-ylethoxy)pyridine-3-carbonitrile (CID 55137110) is 6-(2-pyrrolidin-1-ylethoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(2-pyrrolidin-1-ylethoxy)pyridine-3-carbonitrile?
The canonical SMILES for 6-(2-pyrrolidin-1-ylethoxy)pyridine-3-carbonitrile is N#Cc1ccc(OCCN2CCCC2)nc1.
What is the InChIKey of 6-(2-pyrrolidin-1-ylethoxy)pyridine-3-carbonitrile?
The InChIKey is PDLNHLRKZYVYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c13-9-11-3-4-12(14-10-11)16-8-7-15-5-1-2-6-15/h3-4,10H,1-2,5-8H2.
What are the key properties of 6-(2-pyrrolidin-1-ylethoxy)pyridine-3-carbonitrile?
6-(2-pyrrolidin-1-ylethoxy)pyridine-3-carbonitrile has a molecular weight of 217.27 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-pyrrolidin-1-ylethoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 55137110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).