7-hydroxy-5-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-4H-thieno[3,2-b]pyridine-6-carboxamide

C16H11F3N2O3S — CID 54733601

IUPAC7-hydroxy-5-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-4H-thieno[3,2-b]pyridine-6-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1c(O)c2sccc2[nH]c1=O
InChIInChI=1S/C16H11F3N2O3S/c17-16(18,19)9-3-1-2-8(6-9)7-20-14(23)11-12(22)13-10(4-5-25-13)21-15(11)24/h1-6H,7H2,(H,20,23)(H2,21,22,24)
InChIKeyWNHSSXBTNJHTIA-UHFFFAOYSA-N
MW368.34 g/mol
LogP3.24
Rot. Bonds3

About 7-hydroxy-5-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-4H-thieno[3,2-b]pyridine-6-carboxamide

7-hydroxy-5-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-4H-thieno[3,2-b]pyridine-6-carboxamide (PubChem CID 54733601) has the molecular formula C16H11F3N2O3S and a molecular weight of 368.34 g/mol. Its IUPAC name is 7-hydroxy-5-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-4H-thieno[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name7-hydroxy-5-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-4H-thieno[3,2-b]pyridine-6-carboxamide
PubChem CID54733601
Molecular FormulaC16H11F3N2O3S
Molecular Weight368.34 g/mol
Exact Mass368.04
IUPAC Name7-hydroxy-5-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-4H-thieno[3,2-b]pyridine-6-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1c(O)c2sccc2[nH]c1=O
InChIInChI=1S/C16H11F3N2O3S/c17-16(18,19)9-3-1-2-8(6-9)7-20-14(23)11-12(22)13-10(4-5-25-13)21-15(11)24/h1-6H,7H2,(H,20,23)(H2,21,22,24)
InChIKeyWNHSSXBTNJHTIA-UHFFFAOYSA-N
XLogP3.24
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-5-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-4H-thieno[3,2-b]pyridine-6-carboxamide?
The IUPAC name of 7-hydroxy-5-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-4H-thieno[3,2-b]pyridine-6-carboxamide (CID 54733601) is 7-hydroxy-5-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-4H-thieno[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for 7-hydroxy-5-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-4H-thieno[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for 7-hydroxy-5-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-4H-thieno[3,2-b]pyridine-6-carboxamide is O=C(NCc1cccc(C(F)(F)F)c1)c1c(O)c2sccc2[nH]c1=O.
What is the InChIKey of 7-hydroxy-5-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-4H-thieno[3,2-b]pyridine-6-carboxamide?
The InChIKey is WNHSSXBTNJHTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O3S/c17-16(18,19)9-3-1-2-8(6-9)7-20-14(23)11-12(22)13-10(4-5-25-13)21-15(11)24/h1-6H,7H2,(H,20,23)(H2,21,22,24).
What are the key properties of 7-hydroxy-5-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-4H-thieno[3,2-b]pyridine-6-carboxamide?
7-hydroxy-5-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-4H-thieno[3,2-b]pyridine-6-carboxamide has a molecular weight of 368.34 g/mol, XLogP of 3.24, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-5-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-4H-thieno[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 54733601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).