2-naphthalen-2-yloxy-1-(3-pyridin-3-ylazetidin-1-yl)propan-1-one

C21H20N2O2 — CID 70777350

IUPAC2-naphthalen-2-yloxy-1-(3-pyridin-3-ylazetidin-1-yl)propan-1-one
SMILESCC(Oc1ccc2ccccc2c1)C(=O)N1CC(c2cccnc2)C1
InChIInChI=1S/C21H20N2O2/c1-15(25-20-9-8-16-5-2-3-6-17(16)11-20)21(24)23-13-19(14-23)18-7-4-10-22-12-18/h2-12,15,19H,13-14H2,1H3
InChIKeyBZCVGYJEUPKKTE-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.63
Rot. Bonds4

About 2-naphthalen-2-yloxy-1-(3-pyridin-3-ylazetidin-1-yl)propan-1-one

2-naphthalen-2-yloxy-1-(3-pyridin-3-ylazetidin-1-yl)propan-1-one (PubChem CID 70777350) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-naphthalen-2-yloxy-1-(3-pyridin-3-ylazetidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-naphthalen-2-yloxy-1-(3-pyridin-3-ylazetidin-1-yl)propan-1-one
PubChem CID70777350
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name2-naphthalen-2-yloxy-1-(3-pyridin-3-ylazetidin-1-yl)propan-1-one
SMILESCC(Oc1ccc2ccccc2c1)C(=O)N1CC(c2cccnc2)C1
InChIInChI=1S/C21H20N2O2/c1-15(25-20-9-8-16-5-2-3-6-17(16)11-20)21(24)23-13-19(14-23)18-7-4-10-22-12-18/h2-12,15,19H,13-14H2,1H3
InChIKeyBZCVGYJEUPKKTE-UHFFFAOYSA-N
XLogP3.63
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-naphthalen-2-yloxy-1-(4-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 70777331
2-naphthalen-2-yloxy-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propan-1-one
CID 70709165
N-[4-[1-(2-methylpropanoyl)azetidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide
CID 90011030
(2R)-2-naphthalen-2-yloxy-1-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]propan-1-one
CID 97110031
(2R)-2-(dimethylamino)-2-(2-methylphenyl)-1-(3-pyridin-3-ylazetidin-1-yl)ethanone
CID 97278574
(2S)-1-(azetidin-1-yl)-2-quinolin-3-yloxypropan-1-one
CID 166219750
2-naphthalen-2-yloxy-1-(4-propylpiperazin-1-yl)propan-1-one
CID 17375116
2-[7-(4-methoxy-3-pyridinyl)naphthalen-2-yl]oxy-1-pyrrolidin-1-ylpropan-1-one
CID 175644715
(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone
CID 72859386
1-[3-(4-methoxyphenyl)azepan-1-yl]-2-phenoxypropan-1-one
CID 121146998
3-(1-propan-2-ylazetidin-3-yl)pyridine
CID 58547303
(2S)-1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxypropan-1-one
CID 95771251

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yloxy-1-(3-pyridin-3-ylazetidin-1-yl)propan-1-one?
The IUPAC name of 2-naphthalen-2-yloxy-1-(3-pyridin-3-ylazetidin-1-yl)propan-1-one (CID 70777350) is 2-naphthalen-2-yloxy-1-(3-pyridin-3-ylazetidin-1-yl)propan-1-one.
What is the SMILES notation for 2-naphthalen-2-yloxy-1-(3-pyridin-3-ylazetidin-1-yl)propan-1-one?
The canonical SMILES for 2-naphthalen-2-yloxy-1-(3-pyridin-3-ylazetidin-1-yl)propan-1-one is CC(Oc1ccc2ccccc2c1)C(=O)N1CC(c2cccnc2)C1.
What is the InChIKey of 2-naphthalen-2-yloxy-1-(3-pyridin-3-ylazetidin-1-yl)propan-1-one?
The InChIKey is BZCVGYJEUPKKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-15(25-20-9-8-16-5-2-3-6-17(16)11-20)21(24)23-13-19(14-23)18-7-4-10-22-12-18/h2-12,15,19H,13-14H2,1H3.
What are the key properties of 2-naphthalen-2-yloxy-1-(3-pyridin-3-ylazetidin-1-yl)propan-1-one?
2-naphthalen-2-yloxy-1-(3-pyridin-3-ylazetidin-1-yl)propan-1-one has a molecular weight of 332.40 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yloxy-1-(3-pyridin-3-ylazetidin-1-yl)propan-1-one is sourced from PubChem (CID 70777350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).