5-chloro-N-(2-oxo-1-phenyl-4-pyridin-3-ylazetidin-3-yl)thiophene-2-carboxamide

C19H14ClN3O2S — CID 91800642

IUPAC5-chloro-N-(2-oxo-1-phenyl-4-pyridin-3-ylazetidin-3-yl)thiophene-2-carboxamide
SMILESO=C(NC1C(=O)N(c2ccccc2)C1c1cccnc1)c1ccc(Cl)s1
InChIInChI=1S/C19H14ClN3O2S/c20-15-9-8-14(26-15)18(24)22-16-17(12-5-4-10-21-11-12)23(19(16)25)13-6-2-1-3-7-13/h1-11,16-17H,(H,22,24)
InChIKeyVGJCROPSGYNWLO-UHFFFAOYSA-N
MW383.86 g/mol
LogP3.68
Rot. Bonds4

About 5-chloro-N-(2-oxo-1-phenyl-4-pyridin-3-ylazetidin-3-yl)thiophene-2-carboxamide

5-chloro-N-(2-oxo-1-phenyl-4-pyridin-3-ylazetidin-3-yl)thiophene-2-carboxamide (PubChem CID 91800642) has the molecular formula C19H14ClN3O2S and a molecular weight of 383.86 g/mol. Its IUPAC name is 5-chloro-N-(2-oxo-1-phenyl-4-pyridin-3-ylazetidin-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-oxo-1-phenyl-4-pyridin-3-ylazetidin-3-yl)thiophene-2-carboxamide
PubChem CID91800642
Molecular FormulaC19H14ClN3O2S
Molecular Weight383.86 g/mol
Exact Mass383.05
IUPAC Name5-chloro-N-(2-oxo-1-phenyl-4-pyridin-3-ylazetidin-3-yl)thiophene-2-carboxamide
SMILESO=C(NC1C(=O)N(c2ccccc2)C1c1cccnc1)c1ccc(Cl)s1
InChIInChI=1S/C19H14ClN3O2S/c20-15-9-8-14(26-15)18(24)22-16-17(12-5-4-10-21-11-12)23(19(16)25)13-6-2-1-3-7-13/h1-11,16-17H,(H,22,24)
InChIKeyVGJCROPSGYNWLO-UHFFFAOYSA-N
XLogP3.68
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.86
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-oxo-1-phenyl-4-pyridin-3-ylazetidin-3-yl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(2-oxo-1-phenyl-4-pyridin-3-ylazetidin-3-yl)thiophene-2-carboxamide (CID 91800642) is 5-chloro-N-(2-oxo-1-phenyl-4-pyridin-3-ylazetidin-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-oxo-1-phenyl-4-pyridin-3-ylazetidin-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2-oxo-1-phenyl-4-pyridin-3-ylazetidin-3-yl)thiophene-2-carboxamide is O=C(NC1C(=O)N(c2ccccc2)C1c1cccnc1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(2-oxo-1-phenyl-4-pyridin-3-ylazetidin-3-yl)thiophene-2-carboxamide?
The InChIKey is VGJCROPSGYNWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O2S/c20-15-9-8-14(26-15)18(24)22-16-17(12-5-4-10-21-11-12)23(19(16)25)13-6-2-1-3-7-13/h1-11,16-17H,(H,22,24).
What are the key properties of 5-chloro-N-(2-oxo-1-phenyl-4-pyridin-3-ylazetidin-3-yl)thiophene-2-carboxamide?
5-chloro-N-(2-oxo-1-phenyl-4-pyridin-3-ylazetidin-3-yl)thiophene-2-carboxamide has a molecular weight of 383.86 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-oxo-1-phenyl-4-pyridin-3-ylazetidin-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 91800642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).