6-cyclopropyl-2-[1-(oxetan-3-yl)ethylamino]pyridine-3-carbonitrile

C14H17N3O — CID 162523734

IUPAC6-cyclopropyl-2-[1-(oxetan-3-yl)ethylamino]pyridine-3-carbonitrile
SMILESCC(Nc1nc(C2CC2)ccc1C#N)C1COC1
InChIInChI=1S/C14H17N3O/c1-9(12-7-18-8-12)16-14-11(6-15)4-5-13(17-14)10-2-3-10/h4-5,9-10,12H,2-3,7-8H2,1H3,(H,16,17)
InChIKeyDRHPKSNKBMMOFZ-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.28
Rot. Bonds4

About 6-cyclopropyl-2-[1-(oxetan-3-yl)ethylamino]pyridine-3-carbonitrile

6-cyclopropyl-2-[1-(oxetan-3-yl)ethylamino]pyridine-3-carbonitrile (PubChem CID 162523734) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 6-cyclopropyl-2-[1-(oxetan-3-yl)ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-cyclopropyl-2-[1-(oxetan-3-yl)ethylamino]pyridine-3-carbonitrile
PubChem CID162523734
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name6-cyclopropyl-2-[1-(oxetan-3-yl)ethylamino]pyridine-3-carbonitrile
SMILESCC(Nc1nc(C2CC2)ccc1C#N)C1COC1
InChIInChI=1S/C14H17N3O/c1-9(12-7-18-8-12)16-14-11(6-15)4-5-13(17-14)10-2-3-10/h4-5,9-10,12H,2-3,7-8H2,1H3,(H,16,17)
InChIKeyDRHPKSNKBMMOFZ-UHFFFAOYSA-N
XLogP2.28
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-cyclopropyl-2-[1-(oxetan-3-yl)ethylamino]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

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[1-(oxetan-3-yl)ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-cyclopropyl-2-[1-(oxetan-3-yl)ethylamino]pyridine-3-carbonitrile (CID 162523734) is 6-cyclopropyl-2-[1-(oxetan-3-yl)ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-cyclopropyl-2-[1-(oxetan-3-yl)ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-cyclopropyl-2-[1-(oxetan-3-yl)ethylamino]pyridine-3-carbonitrile is CC(Nc1nc(C2CC2)ccc1C#N)C1COC1.
What is the InChIKey of 6-cyclopropyl-2-[1-(oxetan-3-yl)ethylamino]pyridine-3-carbonitrile?
The InChIKey is DRHPKSNKBMMOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-9(12-7-18-8-12)16-14-11(6-15)4-5-13(17-14)10-2-3-10/h4-5,9-10,12H,2-3,7-8H2,1H3,(H,16,17).
What are the key properties of 6-cyclopropyl-2-[1-(oxetan-3-yl)ethylamino]pyridine-3-carbonitrile?
6-cyclopropyl-2-[1-(oxetan-3-yl)ethylamino]pyridine-3-carbonitrile has a molecular weight of 243.31 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[1-(oxetan-3-yl)ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 162523734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).