1-[6-methyl-4-(3-methyloxetan-3-yl)oxy-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone

C18H20N2O3 — CID 159084658

IUPAC1-[6-methyl-4-(3-methyloxetan-3-yl)oxy-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone
SMILESCc1cccc(CC(=O)c2cc(OC3(C)COC3)cc(C)n2)n1
InChIInChI=1S/C18H20N2O3/c1-12-5-4-6-14(19-12)8-17(21)16-9-15(7-13(2)20-16)23-18(3)10-22-11-18/h4-7,9H,8,10-11H2,1-3H3
InChIKeyKBHIWQIAWMPMHY-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.69
Rot. Bonds5

About 1-[6-methyl-4-(3-methyloxetan-3-yl)oxy-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone

1-[6-methyl-4-(3-methyloxetan-3-yl)oxy-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone (PubChem CID 159084658) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-[6-methyl-4-(3-methyloxetan-3-yl)oxy-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-[6-methyl-4-(3-methyloxetan-3-yl)oxy-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone
PubChem CID159084658
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name1-[6-methyl-4-(3-methyloxetan-3-yl)oxy-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone
SMILESCc1cccc(CC(=O)c2cc(OC3(C)COC3)cc(C)n2)n1
InChIInChI=1S/C18H20N2O3/c1-12-5-4-6-14(19-12)8-17(21)16-9-15(7-13(2)20-16)23-18(3)10-22-11-18/h4-7,9H,8,10-11H2,1-3H3
InChIKeyKBHIWQIAWMPMHY-UHFFFAOYSA-N
XLogP2.69
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[6-methyl-4-(3-methyloxetan-3-yl)oxy-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone with MolForge

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Related Compounds

1-[6-methyl-4-(2-oxaspiro[3.3]heptan-6-yloxy)-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-(2-oxaspiro[3.3]heptan-6-yloxy)-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-(2-oxaspiro[3.3]heptan-6-yloxy)-2-pyridinyl]-2-pyridin-2-ylethanone
CID 158318034
1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-pyridin-2-ylethanone
CID 158122950
1-(1,3-benzodioxol-5-yl)-2-(6-methyl-2-pyridinyl)ethanone
CID 68885000
CID 131847838
CID 131847838
1-(3-bromophenyl)-2-(6-methyl-2-pyridinyl)ethanone
CID 69350663
bis(1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone);2-(5-ethynyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone
CID 159437394
bis(1-[6-(difluoromethyl)-4-pyrimidin-5-yloxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone);1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(6-methyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 162083708
2-(6-methyl-2-pyridinyl)-1-thiophen-2-ylethanone
CID 121015161
2,6-dimethylpyridine;ethyl benzoate;methane;2-(6-methyl-2-pyridinyl)-1-phenylethanone
CID 157202474
2-(3,5-dimethylphenyl)-1-(6-methyl-2-pyridinyl)ethanone
CID 55222118
2-(5-ethynyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone
CID 159437395
1-(4-methoxyphenyl)-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 47258131

Frequently Asked Questions

What is the IUPAC name of 1-[6-methyl-4-(3-methyloxetan-3-yl)oxy-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone?
The IUPAC name of 1-[6-methyl-4-(3-methyloxetan-3-yl)oxy-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone (CID 159084658) is 1-[6-methyl-4-(3-methyloxetan-3-yl)oxy-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone.
What is the SMILES notation for 1-[6-methyl-4-(3-methyloxetan-3-yl)oxy-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone?
The canonical SMILES for 1-[6-methyl-4-(3-methyloxetan-3-yl)oxy-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone is Cc1cccc(CC(=O)c2cc(OC3(C)COC3)cc(C)n2)n1.
What is the InChIKey of 1-[6-methyl-4-(3-methyloxetan-3-yl)oxy-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone?
The InChIKey is KBHIWQIAWMPMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12-5-4-6-14(19-12)8-17(21)16-9-15(7-13(2)20-16)23-18(3)10-22-11-18/h4-7,9H,8,10-11H2,1-3H3.
What are the key properties of 1-[6-methyl-4-(3-methyloxetan-3-yl)oxy-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone?
1-[6-methyl-4-(3-methyloxetan-3-yl)oxy-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone has a molecular weight of 312.37 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-methyl-4-(3-methyloxetan-3-yl)oxy-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 159084658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).