[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(3,4-diethoxyphenyl)methanone

C19H21ClN2O4 — CID 122247908

IUPAC[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(3,4-diethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)N2CC(Oc3ncccc3Cl)C2)cc1OCC
InChIInChI=1S/C19H21ClN2O4/c1-3-24-16-8-7-13(10-17(16)25-4-2)19(23)22-11-14(12-22)26-18-15(20)6-5-9-21-18/h5-10,14H,3-4,11-12H2,1-2H3
InChIKeyNYPPKYMTNDTYMA-UHFFFAOYSA-N
MW376.84 g/mol
LogP3.44
Rot. Bonds7

About [3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(3,4-diethoxyphenyl)methanone

[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(3,4-diethoxyphenyl)methanone (PubChem CID 122247908) has the molecular formula C19H21ClN2O4 and a molecular weight of 376.84 g/mol. Its IUPAC name is [3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(3,4-diethoxyphenyl)methanone.

Molecular Properties

Compound Name[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(3,4-diethoxyphenyl)methanone
PubChem CID122247908
Molecular FormulaC19H21ClN2O4
Molecular Weight376.84 g/mol
Exact Mass376.12
IUPAC Name[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(3,4-diethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)N2CC(Oc3ncccc3Cl)C2)cc1OCC
InChIInChI=1S/C19H21ClN2O4/c1-3-24-16-8-7-13(10-17(16)25-4-2)19(23)22-11-14(12-22)26-18-15(20)6-5-9-21-18/h5-10,14H,3-4,11-12H2,1-2H3
InChIKeyNYPPKYMTNDTYMA-UHFFFAOYSA-N
XLogP3.44
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(3,4-diethoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249102
[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(4-phenylphenyl)methanone
CID 122247943
1,3-benzothiazol-6-yl-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]methanone
CID 122247836
[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 122249894
1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-pyrazol-1-ylethanone
CID 122248067
(3,4-diethoxyphenyl)-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251318
1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]pent-4-en-1-one
CID 122247847
[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 122248008
1-(4-chlorophenyl)-4-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]butane-1,4-dione
CID 122247841
(2-bromo-5-methoxyphenyl)-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]methanone
CID 122247840
[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-cyclohexylmethanone
CID 122247872
2-(4-chlorophenoxy)-1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]ethanone
CID 122247949

Frequently Asked Questions

What is the IUPAC name of [3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(3,4-diethoxyphenyl)methanone?
The IUPAC name of [3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(3,4-diethoxyphenyl)methanone (CID 122247908) is [3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(3,4-diethoxyphenyl)methanone.
What is the SMILES notation for [3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(3,4-diethoxyphenyl)methanone?
The canonical SMILES for [3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(3,4-diethoxyphenyl)methanone is CCOc1ccc(C(=O)N2CC(Oc3ncccc3Cl)C2)cc1OCC.
What is the InChIKey of [3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(3,4-diethoxyphenyl)methanone?
The InChIKey is NYPPKYMTNDTYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4/c1-3-24-16-8-7-13(10-17(16)25-4-2)19(23)22-11-14(12-22)26-18-15(20)6-5-9-21-18/h5-10,14H,3-4,11-12H2,1-2H3.
What are the key properties of [3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(3,4-diethoxyphenyl)methanone?
[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(3,4-diethoxyphenyl)methanone has a molecular weight of 376.84 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(3,4-diethoxyphenyl)methanone is sourced from PubChem (CID 122247908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).