4-methoxy-2-[6-(4-methoxy-6-methyl-2-pyridinyl)-2-pyridinyl]-6-methylpyridine

C19H19N3O2 — CID 132581793

IUPAC4-methoxy-2-[6-(4-methoxy-6-methyl-2-pyridinyl)-2-pyridinyl]-6-methylpyridine
SMILESCOc1cc(C)nc(-c2cccc(-c3cc(OC)cc(C)n3)n2)c1
InChIInChI=1S/C19H19N3O2/c1-12-8-14(23-3)10-18(20-12)16-6-5-7-17(22-16)19-11-15(24-4)9-13(2)21-19/h5-11H,1-4H3
InChIKeySBOQBOOQGJYBOL-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.84
Rot. Bonds4

About 4-methoxy-2-[6-(4-methoxy-6-methyl-2-pyridinyl)-2-pyridinyl]-6-methylpyridine

4-methoxy-2-[6-(4-methoxy-6-methyl-2-pyridinyl)-2-pyridinyl]-6-methylpyridine (PubChem CID 132581793) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-methoxy-2-[6-(4-methoxy-6-methyl-2-pyridinyl)-2-pyridinyl]-6-methylpyridine.

Molecular Properties

Compound Name4-methoxy-2-[6-(4-methoxy-6-methyl-2-pyridinyl)-2-pyridinyl]-6-methylpyridine
PubChem CID132581793
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name4-methoxy-2-[6-(4-methoxy-6-methyl-2-pyridinyl)-2-pyridinyl]-6-methylpyridine
SMILESCOc1cc(C)nc(-c2cccc(-c3cc(OC)cc(C)n3)n2)c1
InChIInChI=1S/C19H19N3O2/c1-12-8-14(23-3)10-18(20-12)16-6-5-7-17(22-16)19-11-15(24-4)9-13(2)21-19/h5-11H,1-4H3
InChIKeySBOQBOOQGJYBOL-UHFFFAOYSA-N
XLogP3.84
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[6-(4-methoxy-6-methyl-2-pyridinyl)-2-pyridinyl]-6-methylpyridine?
The IUPAC name of 4-methoxy-2-[6-(4-methoxy-6-methyl-2-pyridinyl)-2-pyridinyl]-6-methylpyridine (CID 132581793) is 4-methoxy-2-[6-(4-methoxy-6-methyl-2-pyridinyl)-2-pyridinyl]-6-methylpyridine.
What is the SMILES notation for 4-methoxy-2-[6-(4-methoxy-6-methyl-2-pyridinyl)-2-pyridinyl]-6-methylpyridine?
The canonical SMILES for 4-methoxy-2-[6-(4-methoxy-6-methyl-2-pyridinyl)-2-pyridinyl]-6-methylpyridine is COc1cc(C)nc(-c2cccc(-c3cc(OC)cc(C)n3)n2)c1.
What is the InChIKey of 4-methoxy-2-[6-(4-methoxy-6-methyl-2-pyridinyl)-2-pyridinyl]-6-methylpyridine?
The InChIKey is SBOQBOOQGJYBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-12-8-14(23-3)10-18(20-12)16-6-5-7-17(22-16)19-11-15(24-4)9-13(2)21-19/h5-11H,1-4H3.
What are the key properties of 4-methoxy-2-[6-(4-methoxy-6-methyl-2-pyridinyl)-2-pyridinyl]-6-methylpyridine?
4-methoxy-2-[6-(4-methoxy-6-methyl-2-pyridinyl)-2-pyridinyl]-6-methylpyridine has a molecular weight of 321.38 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[6-(4-methoxy-6-methyl-2-pyridinyl)-2-pyridinyl]-6-methylpyridine is sourced from PubChem (CID 132581793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).