2-(oxan-4-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone

C17H18N2O3 — CID 58349315

IUPAC2-(oxan-4-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
SMILESO=C(CC1CCOCC1)c1cc(Oc2cccnc2)ccn1
InChIInChI=1S/C17H18N2O3/c20-17(10-13-4-8-21-9-5-13)16-11-14(3-7-19-16)22-15-2-1-6-18-12-15/h1-3,6-7,11-13H,4-5,8-10H2
InChIKeyCYQLCBVFRRVDCS-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.27
Rot. Bonds5

About 2-(oxan-4-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone

2-(oxan-4-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone (PubChem CID 58349315) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-(oxan-4-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(oxan-4-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
PubChem CID58349315
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name2-(oxan-4-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
SMILESO=C(CC1CCOCC1)c1cc(Oc2cccnc2)ccn1
InChIInChI=1S/C17H18N2O3/c20-17(10-13-4-8-21-9-5-13)16-11-14(3-7-19-16)22-15-2-1-6-18-12-15/h1-3,6-7,11-13H,4-5,8-10H2
InChIKeyCYQLCBVFRRVDCS-UHFFFAOYSA-N
XLogP3.27
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chlorophenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
CID 58349292
2-(1-methyl-1,2,4-triazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
CID 58349254
1-[4-(4-aminophenoxy)-2-pyridinyl]-3-cyclopropylpropan-1-one
CID 58272424
N-[[5-[(2-acetamido-4-pyridinyl)oxy]-2-pyridinyl]carbamoyl]-2-(oxan-4-yl)acetamide
CID 86272520
1-(2-methoxy-3-pyridinyl)-2-(oxan-4-yl)ethanone
CID 105092072
(4-pyridin-3-yloxy-2-pyridinyl)methanol
CID 61255855
N-(3-fluorophenyl)-4-pyridin-3-yloxypyridine-2-carboxamide
CID 51038609
2-cyclopentyl-1-pyrazin-2-ylethanone
CID 62622099
2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 123760741
1-(oxan-4-yl)-2-pyridin-3-yloxyethanol
CID 117238948
5-(oxan-4-yl)-1-pyridin-3-ylpentan-1-one
CID 114191877
2-(oxan-4-yl)-1-quinolin-5-ylethanone
CID 105092025

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone?
The IUPAC name of 2-(oxan-4-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone (CID 58349315) is 2-(oxan-4-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone.
What is the SMILES notation for 2-(oxan-4-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone?
The canonical SMILES for 2-(oxan-4-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone is O=C(CC1CCOCC1)c1cc(Oc2cccnc2)ccn1.
What is the InChIKey of 2-(oxan-4-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone?
The InChIKey is CYQLCBVFRRVDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c20-17(10-13-4-8-21-9-5-13)16-11-14(3-7-19-16)22-15-2-1-6-18-12-15/h1-3,6-7,11-13H,4-5,8-10H2.
What are the key properties of 2-(oxan-4-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone?
2-(oxan-4-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone has a molecular weight of 298.34 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone is sourced from PubChem (CID 58349315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).