3-[5-[3-[(2-methyl-4-pyridinyl)oxy]azetidine-1-carbonyl]thiophen-2-yl]-1-phenylpropan-1-one

C23H22N2O3S — CID 163586753

IUPAC3-[5-[3-[(2-methyl-4-pyridinyl)oxy]azetidine-1-carbonyl]thiophen-2-yl]-1-phenylpropan-1-one
SMILESCc1cc(OC2CN(C(=O)c3ccc(CCC(=O)c4ccccc4)s3)C2)ccn1
InChIInChI=1S/C23H22N2O3S/c1-16-13-18(11-12-24-16)28-19-14-25(15-19)23(27)22-10-8-20(29-22)7-9-21(26)17-5-3-2-4-6-17/h2-6,8,10-13,19H,7,9,14-15H2,1H3
InChIKeyGMCQOMWGGILEQL-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.17
Rot. Bonds7

About 3-[5-[3-[(2-methyl-4-pyridinyl)oxy]azetidine-1-carbonyl]thiophen-2-yl]-1-phenylpropan-1-one

3-[5-[3-[(2-methyl-4-pyridinyl)oxy]azetidine-1-carbonyl]thiophen-2-yl]-1-phenylpropan-1-one (PubChem CID 163586753) has the molecular formula C23H22N2O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is 3-[5-[3-[(2-methyl-4-pyridinyl)oxy]azetidine-1-carbonyl]thiophen-2-yl]-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-[5-[3-[(2-methyl-4-pyridinyl)oxy]azetidine-1-carbonyl]thiophen-2-yl]-1-phenylpropan-1-one
PubChem CID163586753
Molecular FormulaC23H22N2O3S
Molecular Weight406.51 g/mol
Exact Mass406.14
IUPAC Name3-[5-[3-[(2-methyl-4-pyridinyl)oxy]azetidine-1-carbonyl]thiophen-2-yl]-1-phenylpropan-1-one
SMILESCc1cc(OC2CN(C(=O)c3ccc(CCC(=O)c4ccccc4)s3)C2)ccn1
InChIInChI=1S/C23H22N2O3S/c1-16-13-18(11-12-24-16)28-19-14-25(15-19)23(27)22-10-8-20(29-22)7-9-21(26)17-5-3-2-4-6-17/h2-6,8,10-13,19H,7,9,14-15H2,1H3
InChIKeyGMCQOMWGGILEQL-UHFFFAOYSA-N
XLogP4.17
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[5-[3-[(2-methyl-4-pyridinyl)oxy]azetidine-1-carbonyl]thiophen-2-yl]-1-phenylpropan-1-one with MolForge

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Related Compounds

2-[2-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 155981880
6-methyl-3-[2-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 155977356
(6-cyclopentyloxy-3-pyridinyl)-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]methanone
CID 163353377
N-[(4-chlorophenyl)methyl]-3-[(2-methyl-4-pyridinyl)oxy]azetidine-1-carboxamide
CID 163353447
(5-chlorothiophen-2-yl)-(3-pyridin-2-yloxyazetidin-1-yl)methanone
CID 122247268
(3S,4R)-1-[5-(methoxymethyl)thiophene-2-carbonyl]-4-(2-methylphenyl)pyrrolidine-3-carboxylic acid
CID 70778558
4-cyclobutyloxy-2-methylpyridine
CID 70661228
1-[3-(3-methoxyphenoxy)azetidin-1-yl]-4-phenoxybutan-1-one
CID 70781209
2-phenoxy-1-(3-pyridin-4-yloxyazetidin-1-yl)ethanone
CID 154884068
(5-methylpyrazin-2-yl)-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidin-1-yl]methanone
CID 163353329
4-[1-(3,4-dimethylbenzoyl)azetidin-3-yl]oxypyridine-2-carbonitrile
CID 165435668
4-[1-(2-chlorophenyl)sulfonylazetidin-3-yl]oxy-2-methylpyridine
CID 155801121

Frequently Asked Questions

What is the IUPAC name of 3-[5-[3-[(2-methyl-4-pyridinyl)oxy]azetidine-1-carbonyl]thiophen-2-yl]-1-phenylpropan-1-one?
The IUPAC name of 3-[5-[3-[(2-methyl-4-pyridinyl)oxy]azetidine-1-carbonyl]thiophen-2-yl]-1-phenylpropan-1-one (CID 163586753) is 3-[5-[3-[(2-methyl-4-pyridinyl)oxy]azetidine-1-carbonyl]thiophen-2-yl]-1-phenylpropan-1-one.
What is the SMILES notation for 3-[5-[3-[(2-methyl-4-pyridinyl)oxy]azetidine-1-carbonyl]thiophen-2-yl]-1-phenylpropan-1-one?
The canonical SMILES for 3-[5-[3-[(2-methyl-4-pyridinyl)oxy]azetidine-1-carbonyl]thiophen-2-yl]-1-phenylpropan-1-one is Cc1cc(OC2CN(C(=O)c3ccc(CCC(=O)c4ccccc4)s3)C2)ccn1.
What is the InChIKey of 3-[5-[3-[(2-methyl-4-pyridinyl)oxy]azetidine-1-carbonyl]thiophen-2-yl]-1-phenylpropan-1-one?
The InChIKey is GMCQOMWGGILEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3S/c1-16-13-18(11-12-24-16)28-19-14-25(15-19)23(27)22-10-8-20(29-22)7-9-21(26)17-5-3-2-4-6-17/h2-6,8,10-13,19H,7,9,14-15H2,1H3.
What are the key properties of 3-[5-[3-[(2-methyl-4-pyridinyl)oxy]azetidine-1-carbonyl]thiophen-2-yl]-1-phenylpropan-1-one?
3-[5-[3-[(2-methyl-4-pyridinyl)oxy]azetidine-1-carbonyl]thiophen-2-yl]-1-phenylpropan-1-one has a molecular weight of 406.51 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[3-[(2-methyl-4-pyridinyl)oxy]azetidine-1-carbonyl]thiophen-2-yl]-1-phenylpropan-1-one is sourced from PubChem (CID 163586753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).