3-cyano-N-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]azetidine-1-carboxamide

C17H17N5OS — CID 167761494

IUPAC3-cyano-N-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]azetidine-1-carboxamide
SMILESN#CC1CN(C(=O)Nc2ccc(N3CCc4sccc4C3)nc2)C1
InChIInChI=1S/C17H17N5OS/c18-7-12-9-22(10-12)17(23)20-14-1-2-16(19-8-14)21-5-3-15-13(11-21)4-6-24-15/h1-2,4,6,8,12H,3,5,9-11H2,(H,20,23)
InChIKeyVPSUCOJRJJXRMG-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.69
Rot. Bonds2

About 3-cyano-N-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]azetidine-1-carboxamide

3-cyano-N-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]azetidine-1-carboxamide (PubChem CID 167761494) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is 3-cyano-N-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-cyano-N-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]azetidine-1-carboxamide
PubChem CID167761494
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC Name3-cyano-N-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]azetidine-1-carboxamide
SMILESN#CC1CN(C(=O)Nc2ccc(N3CCc4sccc4C3)nc2)C1
InChIInChI=1S/C17H17N5OS/c18-7-12-9-22(10-12)17(23)20-14-1-2-16(19-8-14)21-5-3-15-13(11-21)4-6-24-15/h1-2,4,6,8,12H,3,5,9-11H2,(H,20,23)
InChIKeyVPSUCOJRJJXRMG-UHFFFAOYSA-N
XLogP2.69
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]azetidine-1-carboxamide?
The IUPAC name of 3-cyano-N-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]azetidine-1-carboxamide (CID 167761494) is 3-cyano-N-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]azetidine-1-carboxamide.
What is the SMILES notation for 3-cyano-N-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]azetidine-1-carboxamide?
The canonical SMILES for 3-cyano-N-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]azetidine-1-carboxamide is N#CC1CN(C(=O)Nc2ccc(N3CCc4sccc4C3)nc2)C1.
What is the InChIKey of 3-cyano-N-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]azetidine-1-carboxamide?
The InChIKey is VPSUCOJRJJXRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c18-7-12-9-22(10-12)17(23)20-14-1-2-16(19-8-14)21-5-3-15-13(11-21)4-6-24-15/h1-2,4,6,8,12H,3,5,9-11H2,(H,20,23).
What are the key properties of 3-cyano-N-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]azetidine-1-carboxamide?
3-cyano-N-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]azetidine-1-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]azetidine-1-carboxamide is sourced from PubChem (CID 167761494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).