2-[2-(dimethylamino)ethoxy]pyridine-3-carbonitrile

C10H13N3O — CID 12566180

IUPAC2-[2-(dimethylamino)ethoxy]pyridine-3-carbonitrile
SMILESCN(C)CCOc1ncccc1C#N
InChIInChI=1S/C10H13N3O/c1-13(2)6-7-14-10-9(8-11)4-3-5-12-10/h3-5H,6-7H2,1-2H3
InChIKeySDCZTHJIDDEAEA-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.89
Rot. Bonds4

About 2-[2-(dimethylamino)ethoxy]pyridine-3-carbonitrile

2-[2-(dimethylamino)ethoxy]pyridine-3-carbonitrile (PubChem CID 12566180) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethoxy]pyridine-3-carbonitrile
PubChem CID12566180
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name2-[2-(dimethylamino)ethoxy]pyridine-3-carbonitrile
SMILESCN(C)CCOc1ncccc1C#N
InChIInChI=1S/C10H13N3O/c1-13(2)6-7-14-10-9(8-11)4-3-5-12-10/h3-5H,6-7H2,1-2H3
InChIKeySDCZTHJIDDEAEA-UHFFFAOYSA-N
XLogP0.89
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethoxy]pyridine-3-carbonitrile?
The IUPAC name of 2-[2-(dimethylamino)ethoxy]pyridine-3-carbonitrile (CID 12566180) is 2-[2-(dimethylamino)ethoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-(dimethylamino)ethoxy]pyridine-3-carbonitrile?
The canonical SMILES for 2-[2-(dimethylamino)ethoxy]pyridine-3-carbonitrile is CN(C)CCOc1ncccc1C#N.
What is the InChIKey of 2-[2-(dimethylamino)ethoxy]pyridine-3-carbonitrile?
The InChIKey is SDCZTHJIDDEAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-13(2)6-7-14-10-9(8-11)4-3-5-12-10/h3-5H,6-7H2,1-2H3.
What are the key properties of 2-[2-(dimethylamino)ethoxy]pyridine-3-carbonitrile?
2-[2-(dimethylamino)ethoxy]pyridine-3-carbonitrile has a molecular weight of 191.23 g/mol, XLogP of 0.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 12566180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).