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

C20H15FN4OS — CID 167903502

IUPAC2-cyano-N-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]-3-fluorobenzamide
SMILESN#Cc1c(F)cccc1C(=O)Nc1ccc(N2CCc3sccc3C2)nc1
InChIInChI=1S/C20H15FN4OS/c21-17-3-1-2-15(16(17)10-22)20(26)24-14-4-5-19(23-11-14)25-8-6-18-13(12-25)7-9-27-18/h1-5,7,9,11H,6,8,12H2,(H,24,26)
InChIKeyOGNPKUBYLAMDPB-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.97
Rot. Bonds3

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

2-cyano-N-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]-3-fluorobenzamide (PubChem CID 167903502) has the molecular formula C20H15FN4OS and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-cyano-N-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]-3-fluorobenzamide.

Molecular Properties

Compound Name2-cyano-N-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]-3-fluorobenzamide
PubChem CID167903502
Molecular FormulaC20H15FN4OS
Molecular Weight378.43 g/mol
Exact Mass378.10
IUPAC Name2-cyano-N-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]-3-fluorobenzamide
SMILESN#Cc1c(F)cccc1C(=O)Nc1ccc(N2CCc3sccc3C2)nc1
InChIInChI=1S/C20H15FN4OS/c21-17-3-1-2-15(16(17)10-22)20(26)24-14-4-5-19(23-11-14)25-8-6-18-13(12-25)7-9-27-18/h1-5,7,9,11H,6,8,12H2,(H,24,26)
InChIKeyOGNPKUBYLAMDPB-UHFFFAOYSA-N
XLogP3.97
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-cyano-N-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]-3-fluorobenzamide with MolForge

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Related Compounds

3-cyano-N-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]azetidine-1-carboxamide
CID 167761494
N-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]-2-methylsulfanylacetamide
CID 30896219
3-(cyanomethyl)-N-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]azetidine-1-carboxamide
CID 136553226
2-chloro-N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]benzamide
CID 113013137
2-fluoro-N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 113014414
N-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-2-fluorobenzamide
CID 113016676
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 18151192
N-[6-(4-benzyl-1,4-diazepan-1-yl)-3-pyridinyl]-2-fluorobenzamide
CID 46053831
N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3,4-difluorobenzamide
CID 51129821
N-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-2-fluorobenzamide
CID 113015459
N-[6-(4-benzoyl-1,4-diazepan-1-yl)-3-pyridinyl]-2-fluorobenzamide
CID 46053170
2-fluoro-N-[6-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 42857382

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]-3-fluorobenzamide?
The IUPAC name of 2-cyano-N-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]-3-fluorobenzamide (CID 167903502) is 2-cyano-N-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]-3-fluorobenzamide.
What is the SMILES notation for 2-cyano-N-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]-3-fluorobenzamide?
The canonical SMILES for 2-cyano-N-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]-3-fluorobenzamide is N#Cc1c(F)cccc1C(=O)Nc1ccc(N2CCc3sccc3C2)nc1.
What is the InChIKey of 2-cyano-N-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]-3-fluorobenzamide?
The InChIKey is OGNPKUBYLAMDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4OS/c21-17-3-1-2-15(16(17)10-22)20(26)24-14-4-5-19(23-11-14)25-8-6-18-13(12-25)7-9-27-18/h1-5,7,9,11H,6,8,12H2,(H,24,26).
What are the key properties of 2-cyano-N-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]-3-fluorobenzamide?
2-cyano-N-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]-3-fluorobenzamide has a molecular weight of 378.43 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-pyridinyl]-3-fluorobenzamide is sourced from PubChem (CID 167903502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).