2-(diethylamino)-5-methyl-6-phenylpyridine-3,4-dicarbonitrile

C18H18N4 — CID 42647824

IUPAC2-(diethylamino)-5-methyl-6-phenylpyridine-3,4-dicarbonitrile
SMILESCCN(CC)c1nc(-c2ccccc2)c(C)c(C#N)c1C#N
InChIInChI=1S/C18H18N4/c1-4-22(5-2)18-16(12-20)15(11-19)13(3)17(21-18)14-9-7-6-8-10-14/h6-10H,4-5H2,1-3H3
InChIKeyAOGGVDORTDKIFA-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.65
Rot. Bonds4

About 2-(diethylamino)-5-methyl-6-phenylpyridine-3,4-dicarbonitrile

2-(diethylamino)-5-methyl-6-phenylpyridine-3,4-dicarbonitrile (PubChem CID 42647824) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-(diethylamino)-5-methyl-6-phenylpyridine-3,4-dicarbonitrile.

Molecular Properties

Compound Name2-(diethylamino)-5-methyl-6-phenylpyridine-3,4-dicarbonitrile
PubChem CID42647824
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC Name2-(diethylamino)-5-methyl-6-phenylpyridine-3,4-dicarbonitrile
SMILESCCN(CC)c1nc(-c2ccccc2)c(C)c(C#N)c1C#N
InChIInChI=1S/C18H18N4/c1-4-22(5-2)18-16(12-20)15(11-19)13(3)17(21-18)14-9-7-6-8-10-14/h6-10H,4-5H2,1-3H3
InChIKeyAOGGVDORTDKIFA-UHFFFAOYSA-N
XLogP3.65
TPSA63.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-5-methyl-6-phenylpyridine-3,4-dicarbonitrile?
The IUPAC name of 2-(diethylamino)-5-methyl-6-phenylpyridine-3,4-dicarbonitrile (CID 42647824) is 2-(diethylamino)-5-methyl-6-phenylpyridine-3,4-dicarbonitrile.
What is the SMILES notation for 2-(diethylamino)-5-methyl-6-phenylpyridine-3,4-dicarbonitrile?
The canonical SMILES for 2-(diethylamino)-5-methyl-6-phenylpyridine-3,4-dicarbonitrile is CCN(CC)c1nc(-c2ccccc2)c(C)c(C#N)c1C#N.
What is the InChIKey of 2-(diethylamino)-5-methyl-6-phenylpyridine-3,4-dicarbonitrile?
The InChIKey is AOGGVDORTDKIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4/c1-4-22(5-2)18-16(12-20)15(11-19)13(3)17(21-18)14-9-7-6-8-10-14/h6-10H,4-5H2,1-3H3.
What are the key properties of 2-(diethylamino)-5-methyl-6-phenylpyridine-3,4-dicarbonitrile?
2-(diethylamino)-5-methyl-6-phenylpyridine-3,4-dicarbonitrile has a molecular weight of 290.37 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-5-methyl-6-phenylpyridine-3,4-dicarbonitrile is sourced from PubChem (CID 42647824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).