1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone

C19H16ClN3O2 — CID 158795728

IUPAC1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone
SMILESCc1ccc(CC(=O)c2cc(Oc3cncc(Cl)c3)cc(C)n2)nc1
InChIInChI=1S/C19H16ClN3O2/c1-12-3-4-15(22-9-12)7-19(24)18-8-16(5-13(2)23-18)25-17-6-14(20)10-21-11-17/h3-6,8-11H,7H2,1-2H3
InChIKeySRAKLSRDOHFGLZ-UHFFFAOYSA-N
MW353.81 g/mol
LogP4.36
Rot. Bonds5

About 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone

1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone (PubChem CID 158795728) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone
PubChem CID158795728
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone
SMILESCc1ccc(CC(=O)c2cc(Oc3cncc(Cl)c3)cc(C)n2)nc1
InChIInChI=1S/C19H16ClN3O2/c1-12-3-4-15(22-9-12)7-19(24)18-8-16(5-13(2)23-18)25-17-6-14(20)10-21-11-17/h3-6,8-11H,7H2,1-2H3
InChIKeySRAKLSRDOHFGLZ-UHFFFAOYSA-N
XLogP4.36
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone with MolForge

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Launch Full Analysis

Related Compounds

6-[2-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-oxoethyl]pyridine-3-carbonitrile
CID 161413591
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
5-[[2-[2-(5-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile
CID 157085610
2-(5-fluoro-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone
CID 157270549
1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-ethyl-2-pyridinyl)ethanone;tris(1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone)
CID 158496788
2-(5-ethynyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone
CID 159437395
1-[6-methyl-4-[(3S)-oxan-3-yl]oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone
CID 158122955
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
1-(3,5-dichlorophenyl)-2-(5-methyl-2-pyridinyl)ethanone
CID 66448114
2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-(6-ethyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone
CID 157255302
1-[4-[(2R)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[4-[(2S)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[4-[(2S)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-pyridin-2-ylethanone
CID 160568026
1-[5-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]ethanone
CID 83120272

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone?
The IUPAC name of 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone (CID 158795728) is 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone.
What is the SMILES notation for 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone?
The canonical SMILES for 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone is Cc1ccc(CC(=O)c2cc(Oc3cncc(Cl)c3)cc(C)n2)nc1.
What is the InChIKey of 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone?
The InChIKey is SRAKLSRDOHFGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c1-12-3-4-15(22-9-12)7-19(24)18-8-16(5-13(2)23-18)25-17-6-14(20)10-21-11-17/h3-6,8-11H,7H2,1-2H3.
What are the key properties of 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone?
1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone has a molecular weight of 353.81 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 158795728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).