3-[(3-chloro-2-pyridinyl)oxy]-N-thiophen-2-ylazetidine-1-carboxamide

C13H12ClN3O2S — CID 122248094

IUPAC3-[(3-chloro-2-pyridinyl)oxy]-N-thiophen-2-ylazetidine-1-carboxamide
SMILESO=C(Nc1cccs1)N1CC(Oc2ncccc2Cl)C1
InChIInChI=1S/C13H12ClN3O2S/c14-10-3-1-5-15-12(10)19-9-7-17(8-9)13(18)16-11-4-2-6-20-11/h1-6,9H,7-8H2,(H,16,18)
InChIKeyUCAUYBCEKDFVKI-UHFFFAOYSA-N
MW309.78 g/mol
LogP3.09
Rot. Bonds3

About 3-[(3-chloro-2-pyridinyl)oxy]-N-thiophen-2-ylazetidine-1-carboxamide

3-[(3-chloro-2-pyridinyl)oxy]-N-thiophen-2-ylazetidine-1-carboxamide (PubChem CID 122248094) has the molecular formula C13H12ClN3O2S and a molecular weight of 309.78 g/mol. Its IUPAC name is 3-[(3-chloro-2-pyridinyl)oxy]-N-thiophen-2-ylazetidine-1-carboxamide.

Molecular Properties

Compound Name3-[(3-chloro-2-pyridinyl)oxy]-N-thiophen-2-ylazetidine-1-carboxamide
PubChem CID122248094
Molecular FormulaC13H12ClN3O2S
Molecular Weight309.78 g/mol
Exact Mass309.03
IUPAC Name3-[(3-chloro-2-pyridinyl)oxy]-N-thiophen-2-ylazetidine-1-carboxamide
SMILESO=C(Nc1cccs1)N1CC(Oc2ncccc2Cl)C1
InChIInChI=1S/C13H12ClN3O2S/c14-10-3-1-5-15-12(10)19-9-7-17(8-9)13(18)16-11-4-2-6-20-11/h1-6,9H,7-8H2,(H,16,18)
InChIKeyUCAUYBCEKDFVKI-UHFFFAOYSA-N
XLogP3.09
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.78
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-thiophen-2-yl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide
CID 122251065
N-(4-chlorophenyl)-3-[(3-chloro-2-pyridinyl)oxy]azetidine-1-carboxamide
CID 122248083
3-[(5-chloro-2-pyridinyl)oxy]-N-thiophen-2-ylazetidine-1-carboxamide
CID 122248492
(E)-1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 122247850
3-[(3-chloro-2-pyridinyl)oxy]-N-(3-methoxyphenyl)azetidine-1-carboxamide
CID 122248088
3-[(3-chloro-2-pyridinyl)oxy]-N-(2,4-dimethoxyphenyl)azetidine-1-carboxamide
CID 122248095
4-pyrimidin-2-yloxy-N-thiophen-2-ylpiperidine-1-carboxamide
CID 90558841
3-[(3-chloro-2-pyridinyl)oxy]-N-[(4-fluorophenyl)methyl]azetidine-1-carboxamide
CID 122248114
[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-cyclohexylmethanone
CID 122247872
4-[(3-chloro-2-pyridinyl)oxy]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 71798885
(3S)-3-pyrazin-2-yloxy-N-thiophen-2-ylpyrrolidine-1-carboxamide
CID 100754062
1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]pent-4-en-1-one
CID 122247847

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-2-pyridinyl)oxy]-N-thiophen-2-ylazetidine-1-carboxamide?
The IUPAC name of 3-[(3-chloro-2-pyridinyl)oxy]-N-thiophen-2-ylazetidine-1-carboxamide (CID 122248094) is 3-[(3-chloro-2-pyridinyl)oxy]-N-thiophen-2-ylazetidine-1-carboxamide.
What is the SMILES notation for 3-[(3-chloro-2-pyridinyl)oxy]-N-thiophen-2-ylazetidine-1-carboxamide?
The canonical SMILES for 3-[(3-chloro-2-pyridinyl)oxy]-N-thiophen-2-ylazetidine-1-carboxamide is O=C(Nc1cccs1)N1CC(Oc2ncccc2Cl)C1.
What is the InChIKey of 3-[(3-chloro-2-pyridinyl)oxy]-N-thiophen-2-ylazetidine-1-carboxamide?
The InChIKey is UCAUYBCEKDFVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2S/c14-10-3-1-5-15-12(10)19-9-7-17(8-9)13(18)16-11-4-2-6-20-11/h1-6,9H,7-8H2,(H,16,18).
What are the key properties of 3-[(3-chloro-2-pyridinyl)oxy]-N-thiophen-2-ylazetidine-1-carboxamide?
3-[(3-chloro-2-pyridinyl)oxy]-N-thiophen-2-ylazetidine-1-carboxamide has a molecular weight of 309.78 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-2-pyridinyl)oxy]-N-thiophen-2-ylazetidine-1-carboxamide is sourced from PubChem (CID 122248094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).