(4R)-2-tert-butyl-4,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile

C13H17N3 — CID 67961863

IUPAC(4R)-2-tert-butyl-4,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)[C@@H](C)C(C#N)=C(C(C)(C)C)N1
InChIInChI=1S/C13H17N3/c1-8-10(6-14)9(2)16-12(11(8)7-15)13(3,4)5/h8,16H,1-5H3/t8-/m1/s1
InChIKeyZOMAFCHNNXAMRA-MRVPVSSYSA-N
MW215.30 g/mol
LogP2.85
Rot. Bonds

About (4R)-2-tert-butyl-4,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile

(4R)-2-tert-butyl-4,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile (PubChem CID 67961863) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is (4R)-2-tert-butyl-4,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name(4R)-2-tert-butyl-4,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
PubChem CID67961863
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name(4R)-2-tert-butyl-4,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)[C@@H](C)C(C#N)=C(C(C)(C)C)N1
InChIInChI=1S/C13H17N3/c1-8-10(6-14)9(2)16-12(11(8)7-15)13(3,4)5/h8,16H,1-5H3/t8-/m1/s1
InChIKeyZOMAFCHNNXAMRA-MRVPVSSYSA-N
XLogP2.85
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-tert-butyl-4,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The IUPAC name of (4R)-2-tert-butyl-4,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile (CID 67961863) is (4R)-2-tert-butyl-4,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile.
What is the SMILES notation for (4R)-2-tert-butyl-4,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The canonical SMILES for (4R)-2-tert-butyl-4,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile is CC1=C(C#N)[C@@H](C)C(C#N)=C(C(C)(C)C)N1.
What is the InChIKey of (4R)-2-tert-butyl-4,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The InChIKey is ZOMAFCHNNXAMRA-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H17N3/c1-8-10(6-14)9(2)16-12(11(8)7-15)13(3,4)5/h8,16H,1-5H3/t8-/m1/s1.
What are the key properties of (4R)-2-tert-butyl-4,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
(4R)-2-tert-butyl-4,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile has a molecular weight of 215.30 g/mol, XLogP of 2.85, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-tert-butyl-4,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile is sourced from PubChem (CID 67961863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).