2-(diethylamino)pyridine-3-carbonitrile

C10H13N3 — CID 10012430

IUPAC2-(diethylamino)pyridine-3-carbonitrile
SMILESCCN(CC)c1ncccc1C#N
InChIInChI=1S/C10H13N3/c1-3-13(4-2)10-9(8-11)6-5-7-12-10/h5-7H,3-4H2,1-2H3
InChIKeyQMYGNXYWTWFBRY-UHFFFAOYSA-N
MW175.24 g/mol
LogP1.80
Rot. Bonds3

About 2-(diethylamino)pyridine-3-carbonitrile

2-(diethylamino)pyridine-3-carbonitrile (PubChem CID 10012430) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is 2-(diethylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(diethylamino)pyridine-3-carbonitrile
PubChem CID10012430
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC Name2-(diethylamino)pyridine-3-carbonitrile
SMILESCCN(CC)c1ncccc1C#N
InChIInChI=1S/C10H13N3/c1-3-13(4-2)10-9(8-11)6-5-7-12-10/h5-7H,3-4H2,1-2H3
InChIKeyQMYGNXYWTWFBRY-UHFFFAOYSA-N
XLogP1.80
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)pyridine-3-carbonitrile?
The IUPAC name of 2-(diethylamino)pyridine-3-carbonitrile (CID 10012430) is 2-(diethylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(diethylamino)pyridine-3-carbonitrile?
The canonical SMILES for 2-(diethylamino)pyridine-3-carbonitrile is CCN(CC)c1ncccc1C#N.
What is the InChIKey of 2-(diethylamino)pyridine-3-carbonitrile?
The InChIKey is QMYGNXYWTWFBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-3-13(4-2)10-9(8-11)6-5-7-12-10/h5-7H,3-4H2,1-2H3.
What are the key properties of 2-(diethylamino)pyridine-3-carbonitrile?
2-(diethylamino)pyridine-3-carbonitrile has a molecular weight of 175.24 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 10012430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).