3-pyridin-3-ylpropyl 1-(2-oxo-2-thiophen-2-ylacetyl)azetidine-2-carboxylate

C18H18N2O4S — CID 18612448

IUPAC3-pyridin-3-ylpropyl 1-(2-oxo-2-thiophen-2-ylacetyl)azetidine-2-carboxylate
SMILESO=C(C(=O)N1CCC1C(=O)OCCCc1cccnc1)c1cccs1
InChIInChI=1S/C18H18N2O4S/c21-16(15-6-3-11-25-15)17(22)20-9-7-14(20)18(23)24-10-2-5-13-4-1-8-19-12-13/h1,3-4,6,8,11-12,14H,2,5,7,9-10H2
InChIKeyGQDKSCMFXWDZLR-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.10
Rot. Bonds7

About 3-pyridin-3-ylpropyl 1-(2-oxo-2-thiophen-2-ylacetyl)azetidine-2-carboxylate

3-pyridin-3-ylpropyl 1-(2-oxo-2-thiophen-2-ylacetyl)azetidine-2-carboxylate (PubChem CID 18612448) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is 3-pyridin-3-ylpropyl 1-(2-oxo-2-thiophen-2-ylacetyl)azetidine-2-carboxylate.

Molecular Properties

Compound Name3-pyridin-3-ylpropyl 1-(2-oxo-2-thiophen-2-ylacetyl)azetidine-2-carboxylate
PubChem CID18612448
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name3-pyridin-3-ylpropyl 1-(2-oxo-2-thiophen-2-ylacetyl)azetidine-2-carboxylate
SMILESO=C(C(=O)N1CCC1C(=O)OCCCc1cccnc1)c1cccs1
InChIInChI=1S/C18H18N2O4S/c21-16(15-6-3-11-25-15)17(22)20-9-7-14(20)18(23)24-10-2-5-13-4-1-8-19-12-13/h1,3-4,6,8,11-12,14H,2,5,7,9-10H2
InChIKeyGQDKSCMFXWDZLR-UHFFFAOYSA-N
XLogP2.10
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 3-pyridin-3-ylpropyl 1-(2-oxo-2-thiophen-2-ylacetyl)azetidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

((Cyclopentylcarbamoyl-pyridin-3-yl-methyl)-{2-[(thiophene-2-carbonyl)-amino]-acetyl}-amino)-acetic acid ethyl ester
CID 3211142
N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 3211273
((Cyclohexylcarbamoyl-pyridin-3-yl-methyl)-{2-[(thiophene-2-carbonyl)-amino]-acetyl}-amino)-acetic acid ethyl ester
CID 3211277
3-pyridin-3-yl-N-(tetrahydrofuran-2-ylmethyl)-N-(3-thienylmethyl)propanamide
CID 46991816
1-[(2S,3R)-3-methoxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 97470211
[(2S,3S)-3-(2-methoxyethoxy)-2-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 97470827
3-(2-Methoxyethoxy)-4-(pyridin-4-YL)-1-[1-(thiophene-3-carbonyl)piperidin-4-YL]azetidin-2-one
CID 124077310
3-{3-Methoxy-1-[1-(thiophene-2-carbonyl)piperidin-4-YL]azetidin-2-YL}pyridine
CID 124077515
3-fluoro-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide
CID 46993490
[(2S,3S)-3-(2-methoxyethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid
CID 155826750
[(2S,3S)-3-(2-methoxyethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155831452
4-[Methyl(pyridin-3-ylmethyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxylic acid;bis(2,2,2-trifluoroacetic acid)
CID 155836355

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-ylpropyl 1-(2-oxo-2-thiophen-2-ylacetyl)azetidine-2-carboxylate?
The IUPAC name of 3-pyridin-3-ylpropyl 1-(2-oxo-2-thiophen-2-ylacetyl)azetidine-2-carboxylate (CID 18612448) is 3-pyridin-3-ylpropyl 1-(2-oxo-2-thiophen-2-ylacetyl)azetidine-2-carboxylate.
What is the SMILES notation for 3-pyridin-3-ylpropyl 1-(2-oxo-2-thiophen-2-ylacetyl)azetidine-2-carboxylate?
The canonical SMILES for 3-pyridin-3-ylpropyl 1-(2-oxo-2-thiophen-2-ylacetyl)azetidine-2-carboxylate is O=C(C(=O)N1CCC1C(=O)OCCCc1cccnc1)c1cccs1.
What is the InChIKey of 3-pyridin-3-ylpropyl 1-(2-oxo-2-thiophen-2-ylacetyl)azetidine-2-carboxylate?
The InChIKey is GQDKSCMFXWDZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c21-16(15-6-3-11-25-15)17(22)20-9-7-14(20)18(23)24-10-2-5-13-4-1-8-19-12-13/h1,3-4,6,8,11-12,14H,2,5,7,9-10H2.
What are the key properties of 3-pyridin-3-ylpropyl 1-(2-oxo-2-thiophen-2-ylacetyl)azetidine-2-carboxylate?
3-pyridin-3-ylpropyl 1-(2-oxo-2-thiophen-2-ylacetyl)azetidine-2-carboxylate has a molecular weight of 358.42 g/mol, XLogP of 2.10, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-ylpropyl 1-(2-oxo-2-thiophen-2-ylacetyl)azetidine-2-carboxylate is sourced from PubChem (CID 18612448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).