2-(diethylamino)-6-(3,4-dimethoxyphenyl)pyridine-3,4-dicarbonitrile

C19H20N4O2 — CID 139203706

IUPAC2-(diethylamino)-6-(3,4-dimethoxyphenyl)pyridine-3,4-dicarbonitrile
SMILESCCN(CC)c1nc(-c2ccc(OC)c(OC)c2)cc(C#N)c1C#N
InChIInChI=1S/C19H20N4O2/c1-5-23(6-2)19-15(12-21)14(11-20)9-16(22-19)13-7-8-17(24-3)18(10-13)25-4/h7-10H,5-6H2,1-4H3
InChIKeyVVFFXVDFUQCMNN-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.36
Rot. Bonds6

About 2-(diethylamino)-6-(3,4-dimethoxyphenyl)pyridine-3,4-dicarbonitrile

2-(diethylamino)-6-(3,4-dimethoxyphenyl)pyridine-3,4-dicarbonitrile (PubChem CID 139203706) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-(diethylamino)-6-(3,4-dimethoxyphenyl)pyridine-3,4-dicarbonitrile.

Molecular Properties

Compound Name2-(diethylamino)-6-(3,4-dimethoxyphenyl)pyridine-3,4-dicarbonitrile
PubChem CID139203706
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name2-(diethylamino)-6-(3,4-dimethoxyphenyl)pyridine-3,4-dicarbonitrile
SMILESCCN(CC)c1nc(-c2ccc(OC)c(OC)c2)cc(C#N)c1C#N
InChIInChI=1S/C19H20N4O2/c1-5-23(6-2)19-15(12-21)14(11-20)9-16(22-19)13-7-8-17(24-3)18(10-13)25-4/h7-10H,5-6H2,1-4H3
InChIKeyVVFFXVDFUQCMNN-UHFFFAOYSA-N
XLogP3.36
TPSA82.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-6-(3,4-dimethoxyphenyl)pyridine-3,4-dicarbonitrile?
The IUPAC name of 2-(diethylamino)-6-(3,4-dimethoxyphenyl)pyridine-3,4-dicarbonitrile (CID 139203706) is 2-(diethylamino)-6-(3,4-dimethoxyphenyl)pyridine-3,4-dicarbonitrile.
What is the SMILES notation for 2-(diethylamino)-6-(3,4-dimethoxyphenyl)pyridine-3,4-dicarbonitrile?
The canonical SMILES for 2-(diethylamino)-6-(3,4-dimethoxyphenyl)pyridine-3,4-dicarbonitrile is CCN(CC)c1nc(-c2ccc(OC)c(OC)c2)cc(C#N)c1C#N.
What is the InChIKey of 2-(diethylamino)-6-(3,4-dimethoxyphenyl)pyridine-3,4-dicarbonitrile?
The InChIKey is VVFFXVDFUQCMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-5-23(6-2)19-15(12-21)14(11-20)9-16(22-19)13-7-8-17(24-3)18(10-13)25-4/h7-10H,5-6H2,1-4H3.
What are the key properties of 2-(diethylamino)-6-(3,4-dimethoxyphenyl)pyridine-3,4-dicarbonitrile?
2-(diethylamino)-6-(3,4-dimethoxyphenyl)pyridine-3,4-dicarbonitrile has a molecular weight of 336.40 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-6-(3,4-dimethoxyphenyl)pyridine-3,4-dicarbonitrile is sourced from PubChem (CID 139203706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).