N-(3,4-difluorophenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide

C16H12F2N2O3S — CID 54734497

IUPACN-(3,4-difluorophenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide
SMILESCCn1c(=O)c(C(=O)Nc2ccc(F)c(F)c2)c(O)c2sccc21
InChIInChI=1S/C16H12F2N2O3S/c1-2-20-11-5-6-24-14(11)13(21)12(16(20)23)15(22)19-8-3-4-9(17)10(18)7-8/h3-7,21H,2H2,1H3,(H,19,22)
InChIKeyGMLLUDJUEVXPLX-UHFFFAOYSA-N
MW350.35 g/mol
LogP3.32
Rot. Bonds3

About N-(3,4-difluorophenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide

N-(3,4-difluorophenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide (PubChem CID 54734497) has the molecular formula C16H12F2N2O3S and a molecular weight of 350.35 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide
PubChem CID54734497
Molecular FormulaC16H12F2N2O3S
Molecular Weight350.35 g/mol
Exact Mass350.05
IUPAC NameN-(3,4-difluorophenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide
SMILESCCn1c(=O)c(C(=O)Nc2ccc(F)c(F)c2)c(O)c2sccc21
InChIInChI=1S/C16H12F2N2O3S/c1-2-20-11-5-6-24-14(11)13(21)12(16(20)23)15(22)19-8-3-4-9(17)10(18)7-8/h3-7,21H,2H2,1H3,(H,19,22)
InChIKeyGMLLUDJUEVXPLX-UHFFFAOYSA-N
XLogP3.32
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide
CID 54734487
N-(3,4-dimethoxyphenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide
CID 54733567
4-ethyl-7-hydroxy-N-(3-methylphenyl)-5-oxothieno[3,2-b]pyridine-6-carboxamide
CID 54734490
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide
CID 54734505
N-(3,4-difluorophenyl)-2-(3-ethyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)acetamide
CID 6486231
N-(2,4-difluorophenyl)-7-hydroxy-5-oxo-4-propylthieno[3,2-b]pyridine-6-carboxamide
CID 54734518
N-(4-chlorophenyl)-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carboxamide
CID 54734438
N-(3-fluorophenyl)-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carboxamide
CID 54734443
1-ethyl-N-(3-fluorophenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54678823
N-(3,4-difluorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)thieno[3,2-d]pyrimidin-1-yl]acetamide
CID 6486468
4-benzyl-7-hydroxy-N-[(2-methylphenyl)methyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide
CID 54734579
1-ethyl-4-hydroxy-N-(3-methoxyphenyl)-2-oxoquinoline-3-carboxamide
CID 54679068

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide (CID 54734497) is N-(3,4-difluorophenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide is CCn1c(=O)c(C(=O)Nc2ccc(F)c(F)c2)c(O)c2sccc21.
What is the InChIKey of N-(3,4-difluorophenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide?
The InChIKey is GMLLUDJUEVXPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O3S/c1-2-20-11-5-6-24-14(11)13(21)12(16(20)23)15(22)19-8-3-4-9(17)10(18)7-8/h3-7,21H,2H2,1H3,(H,19,22).
What are the key properties of N-(3,4-difluorophenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide?
N-(3,4-difluorophenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide has a molecular weight of 350.35 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 54734497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).