3-[(4-cyano-2-pyridinyl)oxy]-N-(thiophen-2-ylmethyl)azetidine-1-carboxamide

C15H14N4O2S — CID 122252570

IUPAC3-[(4-cyano-2-pyridinyl)oxy]-N-(thiophen-2-ylmethyl)azetidine-1-carboxamide
SMILESN#Cc1ccnc(OC2CN(C(=O)NCc3cccs3)C2)c1
InChIInChI=1S/C15H14N4O2S/c16-7-11-3-4-17-14(6-11)21-12-9-19(10-12)15(20)18-8-13-2-1-5-22-13/h1-6,12H,8-10H2,(H,18,20)
InChIKeyTXXZBAMXJNNAQS-UHFFFAOYSA-N
MW314.37 g/mol
LogP1.99
Rot. Bonds4

About 3-[(4-cyano-2-pyridinyl)oxy]-N-(thiophen-2-ylmethyl)azetidine-1-carboxamide

3-[(4-cyano-2-pyridinyl)oxy]-N-(thiophen-2-ylmethyl)azetidine-1-carboxamide (PubChem CID 122252570) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is 3-[(4-cyano-2-pyridinyl)oxy]-N-(thiophen-2-ylmethyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-[(4-cyano-2-pyridinyl)oxy]-N-(thiophen-2-ylmethyl)azetidine-1-carboxamide
PubChem CID122252570
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC Name3-[(4-cyano-2-pyridinyl)oxy]-N-(thiophen-2-ylmethyl)azetidine-1-carboxamide
SMILESN#Cc1ccnc(OC2CN(C(=O)NCc3cccs3)C2)c1
InChIInChI=1S/C15H14N4O2S/c16-7-11-3-4-17-14(6-11)21-12-9-19(10-12)15(20)18-8-13-2-1-5-22-13/h1-6,12H,8-10H2,(H,18,20)
InChIKeyTXXZBAMXJNNAQS-UHFFFAOYSA-N
XLogP1.99
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyano-2-pyridinyl)oxy]-N-(thiophen-2-ylmethyl)azetidine-1-carboxamide?
The IUPAC name of 3-[(4-cyano-2-pyridinyl)oxy]-N-(thiophen-2-ylmethyl)azetidine-1-carboxamide (CID 122252570) is 3-[(4-cyano-2-pyridinyl)oxy]-N-(thiophen-2-ylmethyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-[(4-cyano-2-pyridinyl)oxy]-N-(thiophen-2-ylmethyl)azetidine-1-carboxamide?
The canonical SMILES for 3-[(4-cyano-2-pyridinyl)oxy]-N-(thiophen-2-ylmethyl)azetidine-1-carboxamide is N#Cc1ccnc(OC2CN(C(=O)NCc3cccs3)C2)c1.
What is the InChIKey of 3-[(4-cyano-2-pyridinyl)oxy]-N-(thiophen-2-ylmethyl)azetidine-1-carboxamide?
The InChIKey is TXXZBAMXJNNAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c16-7-11-3-4-17-14(6-11)21-12-9-19(10-12)15(20)18-8-13-2-1-5-22-13/h1-6,12H,8-10H2,(H,18,20).
What are the key properties of 3-[(4-cyano-2-pyridinyl)oxy]-N-(thiophen-2-ylmethyl)azetidine-1-carboxamide?
3-[(4-cyano-2-pyridinyl)oxy]-N-(thiophen-2-ylmethyl)azetidine-1-carboxamide has a molecular weight of 314.37 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyano-2-pyridinyl)oxy]-N-(thiophen-2-ylmethyl)azetidine-1-carboxamide is sourced from PubChem (CID 122252570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).