2-(diethylamino)-6-phenylpyridine-3,4-dicarbonitrile

C17H16N4 — CID 91738309

IUPAC2-(diethylamino)-6-phenylpyridine-3,4-dicarbonitrile
SMILESCCN(CC)c1nc(-c2ccccc2)cc(C#N)c1C#N
InChIInChI=1S/C17H16N4/c1-3-21(4-2)17-15(12-19)14(11-18)10-16(20-17)13-8-6-5-7-9-13/h5-10H,3-4H2,1-2H3
InChIKeyAIJZXAXNJAGEMH-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.34
Rot. Bonds4

About 2-(diethylamino)-6-phenylpyridine-3,4-dicarbonitrile

2-(diethylamino)-6-phenylpyridine-3,4-dicarbonitrile (PubChem CID 91738309) has the molecular formula C17H16N4 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(diethylamino)-6-phenylpyridine-3,4-dicarbonitrile.

Molecular Properties

Compound Name2-(diethylamino)-6-phenylpyridine-3,4-dicarbonitrile
PubChem CID91738309
Molecular FormulaC17H16N4
Molecular Weight276.34 g/mol
Exact Mass276.14
IUPAC Name2-(diethylamino)-6-phenylpyridine-3,4-dicarbonitrile
SMILESCCN(CC)c1nc(-c2ccccc2)cc(C#N)c1C#N
InChIInChI=1S/C17H16N4/c1-3-21(4-2)17-15(12-19)14(11-18)10-16(20-17)13-8-6-5-7-9-13/h5-10H,3-4H2,1-2H3
InChIKeyAIJZXAXNJAGEMH-UHFFFAOYSA-N
XLogP3.34
TPSA63.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-6-phenylpyridine-3,4-dicarbonitrile?
The IUPAC name of 2-(diethylamino)-6-phenylpyridine-3,4-dicarbonitrile (CID 91738309) is 2-(diethylamino)-6-phenylpyridine-3,4-dicarbonitrile.
What is the SMILES notation for 2-(diethylamino)-6-phenylpyridine-3,4-dicarbonitrile?
The canonical SMILES for 2-(diethylamino)-6-phenylpyridine-3,4-dicarbonitrile is CCN(CC)c1nc(-c2ccccc2)cc(C#N)c1C#N.
What is the InChIKey of 2-(diethylamino)-6-phenylpyridine-3,4-dicarbonitrile?
The InChIKey is AIJZXAXNJAGEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4/c1-3-21(4-2)17-15(12-19)14(11-18)10-16(20-17)13-8-6-5-7-9-13/h5-10H,3-4H2,1-2H3.
What are the key properties of 2-(diethylamino)-6-phenylpyridine-3,4-dicarbonitrile?
2-(diethylamino)-6-phenylpyridine-3,4-dicarbonitrile has a molecular weight of 276.34 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-6-phenylpyridine-3,4-dicarbonitrile is sourced from PubChem (CID 91738309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).