2,3,6-trimethyl-5-(6-methyl-2-pyridinyl)-2,3-dihydropyridine

C14H18N2 — CID 123471891

IUPAC2,3,6-trimethyl-5-(6-methyl-2-pyridinyl)-2,3-dihydropyridine
SMILESCC1=NC(C)C(C)C=C1c1cccc(C)n1
InChIInChI=1S/C14H18N2/c1-9-8-13(12(4)16-11(9)3)14-7-5-6-10(2)15-14/h5-9,11H,1-4H3
InChIKeyQKZCJPVBZHJWQF-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.27
Rot. Bonds1

About 2,3,6-trimethyl-5-(6-methyl-2-pyridinyl)-2,3-dihydropyridine

2,3,6-trimethyl-5-(6-methyl-2-pyridinyl)-2,3-dihydropyridine (PubChem CID 123471891) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2,3,6-trimethyl-5-(6-methyl-2-pyridinyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name2,3,6-trimethyl-5-(6-methyl-2-pyridinyl)-2,3-dihydropyridine
PubChem CID123471891
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2,3,6-trimethyl-5-(6-methyl-2-pyridinyl)-2,3-dihydropyridine
SMILESCC1=NC(C)C(C)C=C1c1cccc(C)n1
InChIInChI=1S/C14H18N2/c1-9-8-13(12(4)16-11(9)3)14-7-5-6-10(2)15-14/h5-9,11H,1-4H3
InChIKeyQKZCJPVBZHJWQF-UHFFFAOYSA-N
XLogP3.27
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,6-trimethyl-5-(6-methyl-2-pyridinyl)-2,3-dihydropyridine?
The IUPAC name of 2,3,6-trimethyl-5-(6-methyl-2-pyridinyl)-2,3-dihydropyridine (CID 123471891) is 2,3,6-trimethyl-5-(6-methyl-2-pyridinyl)-2,3-dihydropyridine.
What is the SMILES notation for 2,3,6-trimethyl-5-(6-methyl-2-pyridinyl)-2,3-dihydropyridine?
The canonical SMILES for 2,3,6-trimethyl-5-(6-methyl-2-pyridinyl)-2,3-dihydropyridine is CC1=NC(C)C(C)C=C1c1cccc(C)n1.
What is the InChIKey of 2,3,6-trimethyl-5-(6-methyl-2-pyridinyl)-2,3-dihydropyridine?
The InChIKey is QKZCJPVBZHJWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-9-8-13(12(4)16-11(9)3)14-7-5-6-10(2)15-14/h5-9,11H,1-4H3.
What are the key properties of 2,3,6-trimethyl-5-(6-methyl-2-pyridinyl)-2,3-dihydropyridine?
2,3,6-trimethyl-5-(6-methyl-2-pyridinyl)-2,3-dihydropyridine has a molecular weight of 214.31 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trimethyl-5-(6-methyl-2-pyridinyl)-2,3-dihydropyridine is sourced from PubChem (CID 123471891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).