4,6-dimethyl-2-(pyrrolidin-3-ylmethoxy)pyridine-3-carbonitrile

C13H17N3O — CID 55064372

IUPAC4,6-dimethyl-2-(pyrrolidin-3-ylmethoxy)pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(OCC2CCNC2)n1
InChIInChI=1S/C13H17N3O/c1-9-5-10(2)16-13(12(9)6-14)17-8-11-3-4-15-7-11/h5,11,15H,3-4,7-8H2,1-2H3
InChIKeyLZAQVEZWYCMVOJ-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.56
Rot. Bonds3

About 4,6-dimethyl-2-(pyrrolidin-3-ylmethoxy)pyridine-3-carbonitrile

4,6-dimethyl-2-(pyrrolidin-3-ylmethoxy)pyridine-3-carbonitrile (PubChem CID 55064372) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 4,6-dimethyl-2-(pyrrolidin-3-ylmethoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-(pyrrolidin-3-ylmethoxy)pyridine-3-carbonitrile
PubChem CID55064372
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name4,6-dimethyl-2-(pyrrolidin-3-ylmethoxy)pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(OCC2CCNC2)n1
InChIInChI=1S/C13H17N3O/c1-9-5-10(2)16-13(12(9)6-14)17-8-11-3-4-15-7-11/h5,11,15H,3-4,7-8H2,1-2H3
InChIKeyLZAQVEZWYCMVOJ-UHFFFAOYSA-N
XLogP1.56
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(pyrrolidin-3-ylmethoxy)pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-(pyrrolidin-3-ylmethoxy)pyridine-3-carbonitrile (CID 55064372) is 4,6-dimethyl-2-(pyrrolidin-3-ylmethoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-(pyrrolidin-3-ylmethoxy)pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-(pyrrolidin-3-ylmethoxy)pyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(OCC2CCNC2)n1.
What is the InChIKey of 4,6-dimethyl-2-(pyrrolidin-3-ylmethoxy)pyridine-3-carbonitrile?
The InChIKey is LZAQVEZWYCMVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9-5-10(2)16-13(12(9)6-14)17-8-11-3-4-15-7-11/h5,11,15H,3-4,7-8H2,1-2H3.
What are the key properties of 4,6-dimethyl-2-(pyrrolidin-3-ylmethoxy)pyridine-3-carbonitrile?
4,6-dimethyl-2-(pyrrolidin-3-ylmethoxy)pyridine-3-carbonitrile has a molecular weight of 231.30 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(pyrrolidin-3-ylmethoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 55064372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).