4-ethyl-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile

C11H13N3 — CID 57269956

IUPAC4-ethyl-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile
SMILESCCC1C(C#N)=C(C)N=C(C)C1C#N
InChIInChI=1S/C11H13N3/c1-4-9-10(5-12)7(2)14-8(3)11(9)6-13/h9-10H,4H2,1-3H3
InChIKeyLXGGOVCPBUVHTO-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.42
Rot. Bonds1

About 4-ethyl-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile

4-ethyl-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile (PubChem CID 57269956) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 4-ethyl-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name4-ethyl-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile
PubChem CID57269956
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name4-ethyl-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile
SMILESCCC1C(C#N)=C(C)N=C(C)C1C#N
InChIInChI=1S/C11H13N3/c1-4-9-10(5-12)7(2)14-8(3)11(9)6-13/h9-10H,4H2,1-3H3
InChIKeyLXGGOVCPBUVHTO-UHFFFAOYSA-N
XLogP2.42
TPSA59.94 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(Difluoromethyl)-3-ethyl-4-propyl-2-(trifluoromethyl)-3,4-dihydropyridine-5-carbonitrile
CID 67937159
2,4,4,6-tetramethyl-3H-pyridine-3,5-dicarbonitrile
CID 7426798
2,6-Dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile
CID 40513534
2,4,6-Trimethyl-3,4-dihydropyridine-3,5-dicarbonitrile
CID 54427698
(3S,4R)-2,3,4,5,6-pentamethyl-3,4-dihydropyridine
CID 60123254
2,3,4,5,6-Pentamethyl-3,4-dihydropyridine
CID 72655828
(4R)-6-tert-butyl-5-isocyano-2,4-dimethyl-3,4-dihydropyridine-3-carbonitrile
CID 91286665
(E)-2-(pentan-2-ylideneamino)-3-propan-2-ylbut-2-enedinitrile
CID 123883749
2,3,5,6-Tetramethyl-3,4-dihydropyridine
CID 143143584
3,6-Diethyl-2,4,5-trimethyl-3,4-dihydropyridine
CID 144536483
5,6-Dimethyl-3,4-dihydropyridine-2-carbonitrile
CID 164915848
(4S)-2,4,6-trimethyl-3,4-dihydropyridine-3,5-dicarbonitrile
CID 7095292

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile?
The IUPAC name of 4-ethyl-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile (CID 57269956) is 4-ethyl-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile.
What is the SMILES notation for 4-ethyl-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile?
The canonical SMILES for 4-ethyl-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile is CCC1C(C#N)=C(C)N=C(C)C1C#N.
What is the InChIKey of 4-ethyl-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile?
The InChIKey is LXGGOVCPBUVHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-4-9-10(5-12)7(2)14-8(3)11(9)6-13/h9-10H,4H2,1-3H3.
What are the key properties of 4-ethyl-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile?
4-ethyl-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile has a molecular weight of 187.25 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile is sourced from PubChem (CID 57269956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).