2,4,6-trimethyl-3,4-dihydropyridine-3,5-dicarbonitrile

C10H11N3 — CID 54427698

IUPAC2,4,6-trimethyl-3,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=NC(C)=C(C#N)C(C)C1C#N
InChIInChI=1S/C10H11N3/c1-6-9(4-11)7(2)13-8(3)10(6)5-12/h6,9H,1-3H3
InChIKeyWFHBRJCPDWHKGE-UHFFFAOYSA-N
MW173.22 g/mol
LogP2.03
Rot. Bonds

About 2,4,6-trimethyl-3,4-dihydropyridine-3,5-dicarbonitrile

2,4,6-trimethyl-3,4-dihydropyridine-3,5-dicarbonitrile (PubChem CID 54427698) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 2,4,6-trimethyl-3,4-dihydropyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2,4,6-trimethyl-3,4-dihydropyridine-3,5-dicarbonitrile
PubChem CID54427698
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name2,4,6-trimethyl-3,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=NC(C)=C(C#N)C(C)C1C#N
InChIInChI=1S/C10H11N3/c1-6-9(4-11)7(2)13-8(3)10(6)5-12/h6,9H,1-3H3
InChIKeyWFHBRJCPDWHKGE-UHFFFAOYSA-N
XLogP2.03
TPSA59.94 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 52.03
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
4-Ethyl-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile
CID 57269956
(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 2,4,6-trimethyl-3,4-dihydropyridine-3,5-dicarbonitrile?
The IUPAC name of 2,4,6-trimethyl-3,4-dihydropyridine-3,5-dicarbonitrile (CID 54427698) is 2,4,6-trimethyl-3,4-dihydropyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2,4,6-trimethyl-3,4-dihydropyridine-3,5-dicarbonitrile?
The canonical SMILES for 2,4,6-trimethyl-3,4-dihydropyridine-3,5-dicarbonitrile is CC1=NC(C)=C(C#N)C(C)C1C#N.
What is the InChIKey of 2,4,6-trimethyl-3,4-dihydropyridine-3,5-dicarbonitrile?
The InChIKey is WFHBRJCPDWHKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-6-9(4-11)7(2)13-8(3)10(6)5-12/h6,9H,1-3H3.
What are the key properties of 2,4,6-trimethyl-3,4-dihydropyridine-3,5-dicarbonitrile?
2,4,6-trimethyl-3,4-dihydropyridine-3,5-dicarbonitrile has a molecular weight of 173.22 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-3,4-dihydropyridine-3,5-dicarbonitrile is sourced from PubChem (CID 54427698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).