6-(3,4-dihydropyridin-6-yl)-5-methyl-3,4-dihydropyridine

C11H14N2 — CID 57159616

IUPAC6-(3,4-dihydropyridin-6-yl)-5-methyl-3,4-dihydropyridine
SMILESCC1=C(C2=CCCC=N2)N=CCC1
InChIInChI=1S/C11H14N2/c1-9-5-4-8-13-11(9)10-6-2-3-7-12-10/h6-8H,2-5H2,1H3
InChIKeyYLINHSCXVIYYPS-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.87
Rot. Bonds1

About 6-(3,4-dihydropyridin-6-yl)-5-methyl-3,4-dihydropyridine

6-(3,4-dihydropyridin-6-yl)-5-methyl-3,4-dihydropyridine (PubChem CID 57159616) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 6-(3,4-dihydropyridin-6-yl)-5-methyl-3,4-dihydropyridine.

Molecular Properties

Compound Name6-(3,4-dihydropyridin-6-yl)-5-methyl-3,4-dihydropyridine
PubChem CID57159616
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name6-(3,4-dihydropyridin-6-yl)-5-methyl-3,4-dihydropyridine
SMILESCC1=C(C2=CCCC=N2)N=CCC1
InChIInChI=1S/C11H14N2/c1-9-5-4-8-13-11(9)10-6-2-3-7-12-10/h6-8H,2-5H2,1H3
InChIKeyYLINHSCXVIYYPS-UHFFFAOYSA-N
XLogP2.87
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydropyridin-6-yl)-5-methyl-3,4-dihydropyridine?
The IUPAC name of 6-(3,4-dihydropyridin-6-yl)-5-methyl-3,4-dihydropyridine (CID 57159616) is 6-(3,4-dihydropyridin-6-yl)-5-methyl-3,4-dihydropyridine.
What is the SMILES notation for 6-(3,4-dihydropyridin-6-yl)-5-methyl-3,4-dihydropyridine?
The canonical SMILES for 6-(3,4-dihydropyridin-6-yl)-5-methyl-3,4-dihydropyridine is CC1=C(C2=CCCC=N2)N=CCC1.
What is the InChIKey of 6-(3,4-dihydropyridin-6-yl)-5-methyl-3,4-dihydropyridine?
The InChIKey is YLINHSCXVIYYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-9-5-4-8-13-11(9)10-6-2-3-7-12-10/h6-8H,2-5H2,1H3.
What are the key properties of 6-(3,4-dihydropyridin-6-yl)-5-methyl-3,4-dihydropyridine?
6-(3,4-dihydropyridin-6-yl)-5-methyl-3,4-dihydropyridine has a molecular weight of 174.25 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydropyridin-6-yl)-5-methyl-3,4-dihydropyridine is sourced from PubChem (CID 57159616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).