4,6-dimethyl-2-[2-(methylamino)ethoxy]pyridine-3-carbonitrile

C11H15N3O — CID 62349314

IUPAC4,6-dimethyl-2-[2-(methylamino)ethoxy]pyridine-3-carbonitrile
SMILESCNCCOc1nc(C)cc(C)c1C#N
InChIInChI=1S/C11H15N3O/c1-8-6-9(2)14-11(10(8)7-12)15-5-4-13-3/h6,13H,4-5H2,1-3H3
InChIKeyOFBFLRFZPCBVGJ-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.17
Rot. Bonds4

About 4,6-dimethyl-2-[2-(methylamino)ethoxy]pyridine-3-carbonitrile

4,6-dimethyl-2-[2-(methylamino)ethoxy]pyridine-3-carbonitrile (PubChem CID 62349314) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 4,6-dimethyl-2-[2-(methylamino)ethoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-[2-(methylamino)ethoxy]pyridine-3-carbonitrile
PubChem CID62349314
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name4,6-dimethyl-2-[2-(methylamino)ethoxy]pyridine-3-carbonitrile
SMILESCNCCOc1nc(C)cc(C)c1C#N
InChIInChI=1S/C11H15N3O/c1-8-6-9(2)14-11(10(8)7-12)15-5-4-13-3/h6,13H,4-5H2,1-3H3
InChIKeyOFBFLRFZPCBVGJ-UHFFFAOYSA-N
XLogP1.17
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[2-(methylamino)ethoxy]pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-[2-(methylamino)ethoxy]pyridine-3-carbonitrile (CID 62349314) is 4,6-dimethyl-2-[2-(methylamino)ethoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-[2-(methylamino)ethoxy]pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-[2-(methylamino)ethoxy]pyridine-3-carbonitrile is CNCCOc1nc(C)cc(C)c1C#N.
What is the InChIKey of 4,6-dimethyl-2-[2-(methylamino)ethoxy]pyridine-3-carbonitrile?
The InChIKey is OFBFLRFZPCBVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-8-6-9(2)14-11(10(8)7-12)15-5-4-13-3/h6,13H,4-5H2,1-3H3.
What are the key properties of 4,6-dimethyl-2-[2-(methylamino)ethoxy]pyridine-3-carbonitrile?
4,6-dimethyl-2-[2-(methylamino)ethoxy]pyridine-3-carbonitrile has a molecular weight of 205.26 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[2-(methylamino)ethoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 62349314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).