6-[2-(dimethylamino)ethyl]pyridine-3-carbonitrile

C10H13N3 — CID 82411113

IUPAC6-[2-(dimethylamino)ethyl]pyridine-3-carbonitrile
SMILESCN(C)CCc1ccc(C#N)cn1
InChIInChI=1S/C10H13N3/c1-13(2)6-5-10-4-3-9(7-11)8-12-10/h3-4,8H,5-6H2,1-2H3
InChIKeyOUUXWPYHKRIBED-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.06
Rot. Bonds3

About 6-[2-(dimethylamino)ethyl]pyridine-3-carbonitrile

6-[2-(dimethylamino)ethyl]pyridine-3-carbonitrile (PubChem CID 82411113) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethyl]pyridine-3-carbonitrile
PubChem CID82411113
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name6-[2-(dimethylamino)ethyl]pyridine-3-carbonitrile
SMILESCN(C)CCc1ccc(C#N)cn1
InChIInChI=1S/C10H13N3/c1-13(2)6-5-10-4-3-9(7-11)8-12-10/h3-4,8H,5-6H2,1-2H3
InChIKeyOUUXWPYHKRIBED-UHFFFAOYSA-N
XLogP1.06
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethyl]pyridine-3-carbonitrile?
The IUPAC name of 6-[2-(dimethylamino)ethyl]pyridine-3-carbonitrile (CID 82411113) is 6-[2-(dimethylamino)ethyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-(dimethylamino)ethyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[2-(dimethylamino)ethyl]pyridine-3-carbonitrile is CN(C)CCc1ccc(C#N)cn1.
What is the InChIKey of 6-[2-(dimethylamino)ethyl]pyridine-3-carbonitrile?
The InChIKey is OUUXWPYHKRIBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-13(2)6-5-10-4-3-9(7-11)8-12-10/h3-4,8H,5-6H2,1-2H3.
What are the key properties of 6-[2-(dimethylamino)ethyl]pyridine-3-carbonitrile?
6-[2-(dimethylamino)ethyl]pyridine-3-carbonitrile has a molecular weight of 175.23 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethyl]pyridine-3-carbonitrile is sourced from PubChem (CID 82411113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).