2,6-dimethyl-4-pyridin-2-yl-1,4-dihydropyridine-3,5-dicarbonitrile

C14H12N4 — CID 21293070

IUPAC2,6-dimethyl-4-pyridin-2-yl-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)C(c2ccccn2)C(C#N)=C(C)N1
InChIInChI=1S/C14H12N4/c1-9-11(7-15)14(12(8-16)10(2)18-9)13-5-3-4-6-17-13/h3-6,14,18H,1-2H3
InChIKeyUIFQQAGWFVSVAQ-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.36
Rot. Bonds1

About 2,6-dimethyl-4-pyridin-2-yl-1,4-dihydropyridine-3,5-dicarbonitrile

2,6-dimethyl-4-pyridin-2-yl-1,4-dihydropyridine-3,5-dicarbonitrile (PubChem CID 21293070) has the molecular formula C14H12N4 and a molecular weight of 236.28 g/mol. Its IUPAC name is 2,6-dimethyl-4-pyridin-2-yl-1,4-dihydropyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2,6-dimethyl-4-pyridin-2-yl-1,4-dihydropyridine-3,5-dicarbonitrile
PubChem CID21293070
Molecular FormulaC14H12N4
Molecular Weight236.28 g/mol
Exact Mass236.11
IUPAC Name2,6-dimethyl-4-pyridin-2-yl-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)C(c2ccccn2)C(C#N)=C(C)N1
InChIInChI=1S/C14H12N4/c1-9-11(7-15)14(12(8-16)10(2)18-9)13-5-3-4-6-17-13/h3-6,14,18H,1-2H3
InChIKeyUIFQQAGWFVSVAQ-UHFFFAOYSA-N
XLogP2.36
TPSA72.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethionamide
CID 2761171
Anabasine
CID 205586
Pheniramine
CID 4761
Prothionamide
CID 666418
(+-)-Anabasine
CID 2181
5,5'-Dimethyl-2,2'-bipyridyl
CID 15664
Myosmine
CID 442649
Betahistine
CID 2366
5-Ethyl-2-methylpyridine
CID 7728
Anabaseine
CID 18985
3-Pentylpyridine
CID 238307
2-(3-Phenylpropyl)Pyridine
CID 459494

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-pyridin-2-yl-1,4-dihydropyridine-3,5-dicarbonitrile?
The IUPAC name of 2,6-dimethyl-4-pyridin-2-yl-1,4-dihydropyridine-3,5-dicarbonitrile (CID 21293070) is 2,6-dimethyl-4-pyridin-2-yl-1,4-dihydropyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2,6-dimethyl-4-pyridin-2-yl-1,4-dihydropyridine-3,5-dicarbonitrile?
The canonical SMILES for 2,6-dimethyl-4-pyridin-2-yl-1,4-dihydropyridine-3,5-dicarbonitrile is CC1=C(C#N)C(c2ccccn2)C(C#N)=C(C)N1.
What is the InChIKey of 2,6-dimethyl-4-pyridin-2-yl-1,4-dihydropyridine-3,5-dicarbonitrile?
The InChIKey is UIFQQAGWFVSVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4/c1-9-11(7-15)14(12(8-16)10(2)18-9)13-5-3-4-6-17-13/h3-6,14,18H,1-2H3.
What are the key properties of 2,6-dimethyl-4-pyridin-2-yl-1,4-dihydropyridine-3,5-dicarbonitrile?
2,6-dimethyl-4-pyridin-2-yl-1,4-dihydropyridine-3,5-dicarbonitrile has a molecular weight of 236.28 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-pyridin-2-yl-1,4-dihydropyridine-3,5-dicarbonitrile is sourced from PubChem (CID 21293070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).