5-(1-pyrrolidin-2-ylethoxy)pyridine-3-carbonitrile

C12H15N3O — CID 57036159

IUPAC5-(1-pyrrolidin-2-ylethoxy)pyridine-3-carbonitrile
SMILESCC(Oc1cncc(C#N)c1)C1CCCN1
InChIInChI=1S/C12H15N3O/c1-9(12-3-2-4-15-12)16-11-5-10(6-13)7-14-8-11/h5,7-9,12,15H,2-4H2,1H3
InChIKeyCOTBFFZEFAXBMK-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.47
Rot. Bonds3

About 5-(1-pyrrolidin-2-ylethoxy)pyridine-3-carbonitrile

5-(1-pyrrolidin-2-ylethoxy)pyridine-3-carbonitrile (PubChem CID 57036159) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 5-(1-pyrrolidin-2-ylethoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(1-pyrrolidin-2-ylethoxy)pyridine-3-carbonitrile
PubChem CID57036159
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name5-(1-pyrrolidin-2-ylethoxy)pyridine-3-carbonitrile
SMILESCC(Oc1cncc(C#N)c1)C1CCCN1
InChIInChI=1S/C12H15N3O/c1-9(12-3-2-4-15-12)16-11-5-10(6-13)7-14-8-11/h5,7-9,12,15H,2-4H2,1H3
InChIKeyCOTBFFZEFAXBMK-UHFFFAOYSA-N
XLogP1.47
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(1-pyrrolidin-2-ylethoxy)pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-phenyl-5-[1-[(2R)-pyrrolidin-2-yl]ethoxy]pyridine
CID 67605318
(5-propan-2-yloxy-3-pyridinyl)-pyrrolidin-2-ylmethanol
CID 106639944
3-[1-[(2R)-azetidin-2-yl]ethoxy]-5-nitropyridine
CID 70083759
5-(difluoromethoxy)pyridine-3-carbonitrile
CID 46311553
piperidin-2-yl-(5-propan-2-yloxy-3-pyridinyl)methanol
CID 106634630
2-chloro-3-(2-pyridin-4-ylethenyl)-5-[1-[(2S)-pyrrolidin-2-yl]ethoxy]pyridine
CID 87594782
2-[1-(3,4-difluorophenoxy)ethyl]piperidine
CID 117051161
3-[(1S)-1-(azetidin-2-yl)-2-methylpropoxy]-5-chloropyridine
CID 68554858
2-[1-(2-methoxy-5-nitrophenoxy)ethyl]pyrrolidine
CID 67692652
1-(5-propan-2-yloxy-3-pyridinyl)-2-pyrrolidin-2-ylethanone
CID 116560870
5-[(2S)-azetidin-2-yl]pyridine-3-carbonitrile
CID 55263477
(2S)-2-[(2R,3S)-3-[(2S)-pyrrolidin-2-yl]butan-2-yl]pyrrolidine
CID 129418670

Frequently Asked Questions

What is the IUPAC name of 5-(1-pyrrolidin-2-ylethoxy)pyridine-3-carbonitrile?
The IUPAC name of 5-(1-pyrrolidin-2-ylethoxy)pyridine-3-carbonitrile (CID 57036159) is 5-(1-pyrrolidin-2-ylethoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 5-(1-pyrrolidin-2-ylethoxy)pyridine-3-carbonitrile?
The canonical SMILES for 5-(1-pyrrolidin-2-ylethoxy)pyridine-3-carbonitrile is CC(Oc1cncc(C#N)c1)C1CCCN1.
What is the InChIKey of 5-(1-pyrrolidin-2-ylethoxy)pyridine-3-carbonitrile?
The InChIKey is COTBFFZEFAXBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9(12-3-2-4-15-12)16-11-5-10(6-13)7-14-8-11/h5,7-9,12,15H,2-4H2,1H3.
What are the key properties of 5-(1-pyrrolidin-2-ylethoxy)pyridine-3-carbonitrile?
5-(1-pyrrolidin-2-ylethoxy)pyridine-3-carbonitrile has a molecular weight of 217.27 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-pyrrolidin-2-ylethoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 57036159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).