1-[6-methyl-4-(thiolan-2-ylmethoxy)-2-pyridinyl]-2-pyridin-2-ylethanone

C18H20N2O2S — CID 158500124

IUPAC1-[6-methyl-4-(thiolan-2-ylmethoxy)-2-pyridinyl]-2-pyridin-2-ylethanone
SMILESCc1cc(OCC2CCCS2)cc(C(=O)Cc2ccccn2)n1
InChIInChI=1S/C18H20N2O2S/c1-13-9-15(22-12-16-6-4-8-23-16)11-17(20-13)18(21)10-14-5-2-3-7-19-14/h2-3,5,7,9,11,16H,4,6,8,10,12H2,1H3
InChIKeyNUTDOSJKDXXRFK-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.48
Rot. Bonds6

About 1-[6-methyl-4-(thiolan-2-ylmethoxy)-2-pyridinyl]-2-pyridin-2-ylethanone

1-[6-methyl-4-(thiolan-2-ylmethoxy)-2-pyridinyl]-2-pyridin-2-ylethanone (PubChem CID 158500124) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 1-[6-methyl-4-(thiolan-2-ylmethoxy)-2-pyridinyl]-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-[6-methyl-4-(thiolan-2-ylmethoxy)-2-pyridinyl]-2-pyridin-2-ylethanone
PubChem CID158500124
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name1-[6-methyl-4-(thiolan-2-ylmethoxy)-2-pyridinyl]-2-pyridin-2-ylethanone
SMILESCc1cc(OCC2CCCS2)cc(C(=O)Cc2ccccn2)n1
InChIInChI=1S/C18H20N2O2S/c1-13-9-15(22-12-16-6-4-8-23-16)11-17(20-13)18(21)10-14-5-2-3-7-19-14/h2-3,5,7,9,11,16H,4,6,8,10,12H2,1H3
InChIKeyNUTDOSJKDXXRFK-UHFFFAOYSA-N
XLogP3.48
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-pyridin-2-ylethanone
CID 158122950
1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[[(3R)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-[[(3R)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-pyridin-2-ylethanone;1-[6-methyl-4-[[(3R)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-pyridin-2-ylethanone
CID 161241790
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-[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
2-(cyclopentylamino)-6-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109321942
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide
CID 51218811
2-(5-ethynyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone
CID 159437395
2-(4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 123785389
cyclooctyl 2-pyridin-2-ylacetate
CID 15055568
2-pyridin-2-yl-1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethanone
CID 73350647
1-(5-bromo-4-methylthiophen-2-yl)-2-pyridin-2-ylethanone
CID 79989868
4-methyl-2-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one
CID 136816533

Frequently Asked Questions

What is the IUPAC name of 1-[6-methyl-4-(thiolan-2-ylmethoxy)-2-pyridinyl]-2-pyridin-2-ylethanone?
The IUPAC name of 1-[6-methyl-4-(thiolan-2-ylmethoxy)-2-pyridinyl]-2-pyridin-2-ylethanone (CID 158500124) is 1-[6-methyl-4-(thiolan-2-ylmethoxy)-2-pyridinyl]-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-[6-methyl-4-(thiolan-2-ylmethoxy)-2-pyridinyl]-2-pyridin-2-ylethanone?
The canonical SMILES for 1-[6-methyl-4-(thiolan-2-ylmethoxy)-2-pyridinyl]-2-pyridin-2-ylethanone is Cc1cc(OCC2CCCS2)cc(C(=O)Cc2ccccn2)n1.
What is the InChIKey of 1-[6-methyl-4-(thiolan-2-ylmethoxy)-2-pyridinyl]-2-pyridin-2-ylethanone?
The InChIKey is NUTDOSJKDXXRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-13-9-15(22-12-16-6-4-8-23-16)11-17(20-13)18(21)10-14-5-2-3-7-19-14/h2-3,5,7,9,11,16H,4,6,8,10,12H2,1H3.
What are the key properties of 1-[6-methyl-4-(thiolan-2-ylmethoxy)-2-pyridinyl]-2-pyridin-2-ylethanone?
1-[6-methyl-4-(thiolan-2-ylmethoxy)-2-pyridinyl]-2-pyridin-2-ylethanone has a molecular weight of 328.44 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-methyl-4-(thiolan-2-ylmethoxy)-2-pyridinyl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 158500124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).