3-methyl-4-[2-(3-methyl-1,2-dihydropyridin-4-yl)ethyl]-1,2-dihydropyridine

C14H20N2 — CID 67826749

IUPAC3-methyl-4-[2-(3-methyl-1,2-dihydropyridin-4-yl)ethyl]-1,2-dihydropyridine
SMILESCC1=C(CCC2=C(C)CNC=C2)C=CNC1
InChIInChI=1S/C14H20N2/c1-11-9-15-7-5-13(11)3-4-14-6-8-16-10-12(14)2/h5-8,15-16H,3-4,9-10H2,1-2H3
InChIKeyFKRFDTPKQOBPPE-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.63
Rot. Bonds3

About 3-methyl-4-[2-(3-methyl-1,2-dihydropyridin-4-yl)ethyl]-1,2-dihydropyridine

3-methyl-4-[2-(3-methyl-1,2-dihydropyridin-4-yl)ethyl]-1,2-dihydropyridine (PubChem CID 67826749) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 3-methyl-4-[2-(3-methyl-1,2-dihydropyridin-4-yl)ethyl]-1,2-dihydropyridine.

Molecular Properties

Compound Name3-methyl-4-[2-(3-methyl-1,2-dihydropyridin-4-yl)ethyl]-1,2-dihydropyridine
PubChem CID67826749
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name3-methyl-4-[2-(3-methyl-1,2-dihydropyridin-4-yl)ethyl]-1,2-dihydropyridine
SMILESCC1=C(CCC2=C(C)CNC=C2)C=CNC1
InChIInChI=1S/C14H20N2/c1-11-9-15-7-5-13(11)3-4-14-6-8-16-10-12(14)2/h5-8,15-16H,3-4,9-10H2,1-2H3
InChIKeyFKRFDTPKQOBPPE-UHFFFAOYSA-N
XLogP2.63
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-methyl-4-[2-(3-methyl-1,2-dihydropyridin-4-yl)ethyl]-1,2-dihydropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[2-(3-methyl-1,2-dihydropyridin-4-yl)ethyl]-1,2-dihydropyridine?
The IUPAC name of 3-methyl-4-[2-(3-methyl-1,2-dihydropyridin-4-yl)ethyl]-1,2-dihydropyridine (CID 67826749) is 3-methyl-4-[2-(3-methyl-1,2-dihydropyridin-4-yl)ethyl]-1,2-dihydropyridine.
What is the SMILES notation for 3-methyl-4-[2-(3-methyl-1,2-dihydropyridin-4-yl)ethyl]-1,2-dihydropyridine?
The canonical SMILES for 3-methyl-4-[2-(3-methyl-1,2-dihydropyridin-4-yl)ethyl]-1,2-dihydropyridine is CC1=C(CCC2=C(C)CNC=C2)C=CNC1.
What is the InChIKey of 3-methyl-4-[2-(3-methyl-1,2-dihydropyridin-4-yl)ethyl]-1,2-dihydropyridine?
The InChIKey is FKRFDTPKQOBPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-11-9-15-7-5-13(11)3-4-14-6-8-16-10-12(14)2/h5-8,15-16H,3-4,9-10H2,1-2H3.
What are the key properties of 3-methyl-4-[2-(3-methyl-1,2-dihydropyridin-4-yl)ethyl]-1,2-dihydropyridine?
3-methyl-4-[2-(3-methyl-1,2-dihydropyridin-4-yl)ethyl]-1,2-dihydropyridine has a molecular weight of 216.33 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[2-(3-methyl-1,2-dihydropyridin-4-yl)ethyl]-1,2-dihydropyridine is sourced from PubChem (CID 67826749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).