2-(diethylamino)-4,6-diphenylpyridine-3-carbonitrile

C22H21N3 — CID 44522390

IUPAC2-(diethylamino)-4,6-diphenylpyridine-3-carbonitrile
SMILESCCN(CC)c1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N
InChIInChI=1S/C22H21N3/c1-3-25(4-2)22-20(16-23)19(17-11-7-5-8-12-17)15-21(24-22)18-13-9-6-10-14-18/h5-15H,3-4H2,1-2H3
InChIKeyHADKPWNXMPVUTG-UHFFFAOYSA-N
MW327.43 g/mol
LogP5.13
Rot. Bonds5

About 2-(diethylamino)-4,6-diphenylpyridine-3-carbonitrile

2-(diethylamino)-4,6-diphenylpyridine-3-carbonitrile (PubChem CID 44522390) has the molecular formula C22H21N3 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-(diethylamino)-4,6-diphenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(diethylamino)-4,6-diphenylpyridine-3-carbonitrile
PubChem CID44522390
Molecular FormulaC22H21N3
Molecular Weight327.43 g/mol
Exact Mass327.17
IUPAC Name2-(diethylamino)-4,6-diphenylpyridine-3-carbonitrile
SMILESCCN(CC)c1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N
InChIInChI=1S/C22H21N3/c1-3-25(4-2)22-20(16-23)19(17-11-7-5-8-12-17)15-21(24-22)18-13-9-6-10-14-18/h5-15H,3-4H2,1-2H3
InChIKeyHADKPWNXMPVUTG-UHFFFAOYSA-N
XLogP5.13
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.43
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-4,6-diphenylpyridine-3-carbonitrile?
The IUPAC name of 2-(diethylamino)-4,6-diphenylpyridine-3-carbonitrile (CID 44522390) is 2-(diethylamino)-4,6-diphenylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(diethylamino)-4,6-diphenylpyridine-3-carbonitrile?
The canonical SMILES for 2-(diethylamino)-4,6-diphenylpyridine-3-carbonitrile is CCN(CC)c1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N.
What is the InChIKey of 2-(diethylamino)-4,6-diphenylpyridine-3-carbonitrile?
The InChIKey is HADKPWNXMPVUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3/c1-3-25(4-2)22-20(16-23)19(17-11-7-5-8-12-17)15-21(24-22)18-13-9-6-10-14-18/h5-15H,3-4H2,1-2H3.
What are the key properties of 2-(diethylamino)-4,6-diphenylpyridine-3-carbonitrile?
2-(diethylamino)-4,6-diphenylpyridine-3-carbonitrile has a molecular weight of 327.43 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-4,6-diphenylpyridine-3-carbonitrile is sourced from PubChem (CID 44522390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).