4-(oxolan-2-ylmethylamino)pyridine-2-carbonitrile

C11H13N3O — CID 62924646

IUPAC4-(oxolan-2-ylmethylamino)pyridine-2-carbonitrile
SMILESN#Cc1cc(NCC2CCCO2)ccn1
InChIInChI=1S/C11H13N3O/c12-7-10-6-9(3-4-13-10)14-8-11-2-1-5-15-11/h3-4,6,11H,1-2,5,8H2,(H,13,14)
InChIKeyWUXIKSYGFHCQMM-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.54
Rot. Bonds3

About 4-(oxolan-2-ylmethylamino)pyridine-2-carbonitrile

4-(oxolan-2-ylmethylamino)pyridine-2-carbonitrile (PubChem CID 62924646) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 4-(oxolan-2-ylmethylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(oxolan-2-ylmethylamino)pyridine-2-carbonitrile
PubChem CID62924646
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name4-(oxolan-2-ylmethylamino)pyridine-2-carbonitrile
SMILESN#Cc1cc(NCC2CCCO2)ccn1
InChIInChI=1S/C11H13N3O/c12-7-10-6-9(3-4-13-10)14-8-11-2-1-5-15-11/h3-4,6,11H,1-2,5,8H2,(H,13,14)
InChIKeyWUXIKSYGFHCQMM-UHFFFAOYSA-N
XLogP1.54
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(oxolan-2-ylmethylamino)pyridine-2-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-ylmethylamino)pyridine-2-carbonitrile?
The IUPAC name of 4-(oxolan-2-ylmethylamino)pyridine-2-carbonitrile (CID 62924646) is 4-(oxolan-2-ylmethylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(oxolan-2-ylmethylamino)pyridine-2-carbonitrile?
The canonical SMILES for 4-(oxolan-2-ylmethylamino)pyridine-2-carbonitrile is N#Cc1cc(NCC2CCCO2)ccn1.
What is the InChIKey of 4-(oxolan-2-ylmethylamino)pyridine-2-carbonitrile?
The InChIKey is WUXIKSYGFHCQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c12-7-10-6-9(3-4-13-10)14-8-11-2-1-5-15-11/h3-4,6,11H,1-2,5,8H2,(H,13,14).
What are the key properties of 4-(oxolan-2-ylmethylamino)pyridine-2-carbonitrile?
4-(oxolan-2-ylmethylamino)pyridine-2-carbonitrile has a molecular weight of 203.25 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-ylmethylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 62924646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).