6-methyl-2-(pyrrolidin-2-ylmethoxy)pyridine-3-carbonitrile

C12H15N3O — CID 62348215

IUPAC6-methyl-2-(pyrrolidin-2-ylmethoxy)pyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(OCC2CCCN2)n1
InChIInChI=1S/C12H15N3O/c1-9-4-5-10(7-13)12(15-9)16-8-11-3-2-6-14-11/h4-5,11,14H,2-3,6,8H2,1H3
InChIKeyICGJEUKXTMCJAY-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.39
Rot. Bonds3

About 6-methyl-2-(pyrrolidin-2-ylmethoxy)pyridine-3-carbonitrile

6-methyl-2-(pyrrolidin-2-ylmethoxy)pyridine-3-carbonitrile (PubChem CID 62348215) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 6-methyl-2-(pyrrolidin-2-ylmethoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-(pyrrolidin-2-ylmethoxy)pyridine-3-carbonitrile
PubChem CID62348215
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name6-methyl-2-(pyrrolidin-2-ylmethoxy)pyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(OCC2CCCN2)n1
InChIInChI=1S/C12H15N3O/c1-9-4-5-10(7-13)12(15-9)16-8-11-3-2-6-14-11/h4-5,11,14H,2-3,6,8H2,1H3
InChIKeyICGJEUKXTMCJAY-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-3-nitro-2-(pyrrolidin-2-ylmethoxy)pyridine
CID 81137313
3-(piperidin-2-ylmethoxy)pyridazine-4-carbonitrile
CID 80516021
2-[[(2R)-pyrrolidin-2-yl]methoxy]benzonitrile
CID 94406444
6-methyl-2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 106620667
2-fluoro-4-(pyrrolidin-2-ylmethoxy)benzonitrile
CID 107923348
5,6-dimethyl-3-(pyrrolidin-2-ylmethoxy)pyridazine-4-carbonitrile
CID 80516247
3,5-dimethyl-4-(pyrrolidin-2-ylmethoxy)benzonitrile
CID 65470583
5,6-diethyl-3-(pyrrolidin-2-ylmethoxy)pyridazine-4-carbonitrile
CID 80516280
2,4-dimethyl-6-(pyrrolidin-2-ylmethoxy)pyrimidine
CID 62348060
2-bromo-6-(pyrrolidin-2-ylmethoxy)benzonitrile
CID 114887698
(2S)-2-[(5-bromo-2-methylphenoxy)methyl]pyrrolidine
CID 107284582
2-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine-4-carbonitrile
CID 94406446

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(pyrrolidin-2-ylmethoxy)pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-(pyrrolidin-2-ylmethoxy)pyridine-3-carbonitrile (CID 62348215) is 6-methyl-2-(pyrrolidin-2-ylmethoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-(pyrrolidin-2-ylmethoxy)pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-(pyrrolidin-2-ylmethoxy)pyridine-3-carbonitrile is Cc1ccc(C#N)c(OCC2CCCN2)n1.
What is the InChIKey of 6-methyl-2-(pyrrolidin-2-ylmethoxy)pyridine-3-carbonitrile?
The InChIKey is ICGJEUKXTMCJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9-4-5-10(7-13)12(15-9)16-8-11-3-2-6-14-11/h4-5,11,14H,2-3,6,8H2,1H3.
What are the key properties of 6-methyl-2-(pyrrolidin-2-ylmethoxy)pyridine-3-carbonitrile?
6-methyl-2-(pyrrolidin-2-ylmethoxy)pyridine-3-carbonitrile has a molecular weight of 217.27 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(pyrrolidin-2-ylmethoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 62348215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).