5-tert-butyl-3-methyl-6-pyridin-3-yl-2,3-dihydropyridine

C15H20N2 — CID 175873689

IUPAC5-tert-butyl-3-methyl-6-pyridin-3-yl-2,3-dihydropyridine
SMILESCC1C=C(C(C)(C)C)C(c2cccnc2)=NC1
InChIInChI=1S/C15H20N2/c1-11-8-13(15(2,3)4)14(17-9-11)12-6-5-7-16-10-12/h5-8,10-11H,9H2,1-4H3
InChIKeyGJACINODFYYKAU-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.49
Rot. Bonds1

About 5-tert-butyl-3-methyl-6-pyridin-3-yl-2,3-dihydropyridine

5-tert-butyl-3-methyl-6-pyridin-3-yl-2,3-dihydropyridine (PubChem CID 175873689) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 5-tert-butyl-3-methyl-6-pyridin-3-yl-2,3-dihydropyridine.

Molecular Properties

Compound Name5-tert-butyl-3-methyl-6-pyridin-3-yl-2,3-dihydropyridine
PubChem CID175873689
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name5-tert-butyl-3-methyl-6-pyridin-3-yl-2,3-dihydropyridine
SMILESCC1C=C(C(C)(C)C)C(c2cccnc2)=NC1
InChIInChI=1S/C15H20N2/c1-11-8-13(15(2,3)4)14(17-9-11)12-6-5-7-16-10-12/h5-8,10-11H,9H2,1-4H3
InChIKeyGJACINODFYYKAU-UHFFFAOYSA-N
XLogP3.49
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-methyl-6-pyridin-3-yl-2,3-dihydropyridine?
The IUPAC name of 5-tert-butyl-3-methyl-6-pyridin-3-yl-2,3-dihydropyridine (CID 175873689) is 5-tert-butyl-3-methyl-6-pyridin-3-yl-2,3-dihydropyridine.
What is the SMILES notation for 5-tert-butyl-3-methyl-6-pyridin-3-yl-2,3-dihydropyridine?
The canonical SMILES for 5-tert-butyl-3-methyl-6-pyridin-3-yl-2,3-dihydropyridine is CC1C=C(C(C)(C)C)C(c2cccnc2)=NC1.
What is the InChIKey of 5-tert-butyl-3-methyl-6-pyridin-3-yl-2,3-dihydropyridine?
The InChIKey is GJACINODFYYKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-11-8-13(15(2,3)4)14(17-9-11)12-6-5-7-16-10-12/h5-8,10-11H,9H2,1-4H3.
What are the key properties of 5-tert-butyl-3-methyl-6-pyridin-3-yl-2,3-dihydropyridine?
5-tert-butyl-3-methyl-6-pyridin-3-yl-2,3-dihydropyridine has a molecular weight of 228.34 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-methyl-6-pyridin-3-yl-2,3-dihydropyridine is sourced from PubChem (CID 175873689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).