2-tert-butyl-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile

C12H15N3 — CID 143690920

IUPAC2-tert-butyl-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)CC(C#N)=C(C(C)(C)C)N1
InChIInChI=1S/C12H15N3/c1-8-9(6-13)5-10(7-14)11(15-8)12(2,3)4/h15H,5H2,1-4H3
InChIKeyLDFPDSZLNWPDNL-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.60
Rot. Bonds

About 2-tert-butyl-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile

2-tert-butyl-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile (PubChem CID 143690920) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-tert-butyl-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-tert-butyl-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile
PubChem CID143690920
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name2-tert-butyl-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)CC(C#N)=C(C(C)(C)C)N1
InChIInChI=1S/C12H15N3/c1-8-9(6-13)5-10(7-14)11(15-8)12(2,3)4/h15H,5H2,1-4H3
InChIKeyLDFPDSZLNWPDNL-UHFFFAOYSA-N
XLogP2.60
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The IUPAC name of 2-tert-butyl-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile (CID 143690920) is 2-tert-butyl-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-tert-butyl-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-tert-butyl-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile is CC1=C(C#N)CC(C#N)=C(C(C)(C)C)N1.
What is the InChIKey of 2-tert-butyl-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The InChIKey is LDFPDSZLNWPDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-8-9(6-13)5-10(7-14)11(15-8)12(2,3)4/h15H,5H2,1-4H3.
What are the key properties of 2-tert-butyl-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile?
2-tert-butyl-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile has a molecular weight of 201.27 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile is sourced from PubChem (CID 143690920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).