1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-pyridin-2-ylethanone

C18H20N2O3 — CID 158122950

IUPAC1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-pyridin-2-ylethanone
SMILESCc1cc(OC[C@H]2CCOC2)cc(C(=O)Cc2ccccn2)n1
InChIInChI=1S/C18H20N2O3/c1-13-8-16(23-12-14-5-7-22-11-14)10-17(20-13)18(21)9-15-4-2-3-6-19-15/h2-4,6,8,10,14H,5,7,9,11-12H2,1H3/t14-/m0/s1
InChIKeyFYAGCCPLXXWLSV-AWEZNQCLSA-N
MW312.37 g/mol
LogP2.63
Rot. Bonds6

About 1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-pyridin-2-ylethanone

1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-pyridin-2-ylethanone (PubChem CID 158122950) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-pyridin-2-ylethanone
PubChem CID158122950
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-pyridin-2-ylethanone
SMILESCc1cc(OC[C@H]2CCOC2)cc(C(=O)Cc2ccccn2)n1
InChIInChI=1S/C18H20N2O3/c1-13-8-16(23-12-14-5-7-22-11-14)10-17(20-13)18(21)9-15-4-2-3-6-19-15/h2-4,6,8,10,14H,5,7,9,11-12H2,1H3/t14-/m0/s1
InChIKeyFYAGCCPLXXWLSV-AWEZNQCLSA-N
XLogP2.63
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.63
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-(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-[6-methyl-4-(thiolan-2-ylmethoxy)-2-pyridinyl]-2-pyridin-2-ylethanone
CID 158500124
1-[6-methyl-4-[(3S)-oxan-3-yl]oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone
CID 158122955
3-methyl-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 42274795
5-methyl-N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 26353603
4-methyl-N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)-1,2,5-oxadiazole-3-carboxamide
CID 45205532
N-[[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)cyclobutanecarboxamide
CID 42277857
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)acetamide
CID 45175320
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
3,5-dimethoxy-N-[[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 42319962
1-[6-methyl-4-(oxetan-2-ylmethoxy)-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 158991976
3-fluoro-N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 45205894

Frequently Asked Questions

What is the IUPAC name of 1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-pyridin-2-ylethanone?
The IUPAC name of 1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-pyridin-2-ylethanone (CID 158122950) is 1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-pyridin-2-ylethanone?
The canonical SMILES for 1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-pyridin-2-ylethanone is Cc1cc(OC[C@H]2CCOC2)cc(C(=O)Cc2ccccn2)n1.
What is the InChIKey of 1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-pyridin-2-ylethanone?
The InChIKey is FYAGCCPLXXWLSV-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13-8-16(23-12-14-5-7-22-11-14)10-17(20-13)18(21)9-15-4-2-3-6-19-15/h2-4,6,8,10,14H,5,7,9,11-12H2,1H3/t14-/m0/s1.
What are the key properties of 1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-pyridin-2-ylethanone?
1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-pyridin-2-ylethanone has a molecular weight of 312.37 g/mol, XLogP of 2.63, 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-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 158122950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).