5-acetyl-N-(3-fluorophenyl)-3-methylthieno[2,3-b]pyridine-2-carboxamide

C17H13FN2O2S — CID 38873060

IUPAC5-acetyl-N-(3-fluorophenyl)-3-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCC(=O)c1cnc2sc(C(=O)Nc3cccc(F)c3)c(C)c2c1
InChIInChI=1S/C17H13FN2O2S/c1-9-14-6-11(10(2)21)8-19-17(14)23-15(9)16(22)20-13-5-3-4-12(18)7-13/h3-8H,1-2H3,(H,20,22)
InChIKeyNPCNNMFPIDODIJ-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.20
Rot. Bonds3

About 5-acetyl-N-(3-fluorophenyl)-3-methylthieno[2,3-b]pyridine-2-carboxamide

5-acetyl-N-(3-fluorophenyl)-3-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 38873060) has the molecular formula C17H13FN2O2S and a molecular weight of 328.37 g/mol. Its IUPAC name is 5-acetyl-N-(3-fluorophenyl)-3-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-(3-fluorophenyl)-3-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID38873060
Molecular FormulaC17H13FN2O2S
Molecular Weight328.37 g/mol
Exact Mass328.07
IUPAC Name5-acetyl-N-(3-fluorophenyl)-3-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCC(=O)c1cnc2sc(C(=O)Nc3cccc(F)c3)c(C)c2c1
InChIInChI=1S/C17H13FN2O2S/c1-9-14-6-11(10(2)21)8-19-17(14)23-15(9)16(22)20-13-5-3-4-12(18)7-13/h3-8H,1-2H3,(H,20,22)
InChIKeyNPCNNMFPIDODIJ-UHFFFAOYSA-N
XLogP4.20
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(4-fluorophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 712295
3-Amino-4-anilinothieno[2,3-b]pyridine-2-carboxamide
CID 750059
3-Amino-N-(2-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[B]thieno[3,2-E]pyridine-2-carboxamide
CID 1023422
1-(2-methyl-1H-indol-3-yl)-2-(pyridin-2-ylsulfanyl)ethanone
CID 753522
3-Amino-4-pyridin-3-yl-6,7-dihydro-5H-1-thia-8-aza-s-indacene-2-carboxylic acid amide
CID 706211
3-Amino-6-(pyridin-3-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 766178
3-Amino-N,N-diethyl-6-PH-4-(trifluoromethyl)thieno(2,3-B)pyridine-2-carboxamide
CID 1157648
3-amino-4,6-dimethyl-N-(2-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 707443
N-(2-fluoro-4-methylphenyl)-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 23644852
3-amino-4,6-dimethyl-N-(1-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 2793404
3-amino-6-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide
CID 1004132
3-amino-N-(2-fluorophenyl)-6-(3-pyridinyl)-2-thieno[2,3-b]pyridinecarboxamide
CID 1962617

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-(3-fluorophenyl)-3-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 5-acetyl-N-(3-fluorophenyl)-3-methylthieno[2,3-b]pyridine-2-carboxamide (CID 38873060) is 5-acetyl-N-(3-fluorophenyl)-3-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-(3-fluorophenyl)-3-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 5-acetyl-N-(3-fluorophenyl)-3-methylthieno[2,3-b]pyridine-2-carboxamide is CC(=O)c1cnc2sc(C(=O)Nc3cccc(F)c3)c(C)c2c1.
What is the InChIKey of 5-acetyl-N-(3-fluorophenyl)-3-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is NPCNNMFPIDODIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2S/c1-9-14-6-11(10(2)21)8-19-17(14)23-15(9)16(22)20-13-5-3-4-12(18)7-13/h3-8H,1-2H3,(H,20,22).
What are the key properties of 5-acetyl-N-(3-fluorophenyl)-3-methylthieno[2,3-b]pyridine-2-carboxamide?
5-acetyl-N-(3-fluorophenyl)-3-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-(3-fluorophenyl)-3-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 38873060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).