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

C16H13ClN2O3S — CID 54734487

IUPACN-(3-chlorophenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide
SMILESCCn1c(=O)c(C(=O)Nc2cccc(Cl)c2)c(O)c2sccc21
InChIInChI=1S/C16H13ClN2O3S/c1-2-19-11-6-7-23-14(11)13(20)12(16(19)22)15(21)18-10-5-3-4-9(17)8-10/h3-8,20H,2H2,1H3,(H,18,21)
InChIKeyYYGIDBZDSKIMIE-UHFFFAOYSA-N
MW348.81 g/mol
LogP3.69
Rot. Bonds3

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

N-(3-chlorophenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide (PubChem CID 54734487) has the molecular formula C16H13ClN2O3S and a molecular weight of 348.81 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide
PubChem CID54734487
Molecular FormulaC16H13ClN2O3S
Molecular Weight348.81 g/mol
Exact Mass348.03
IUPAC NameN-(3-chlorophenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide
SMILESCCn1c(=O)c(C(=O)Nc2cccc(Cl)c2)c(O)c2sccc21
InChIInChI=1S/C16H13ClN2O3S/c1-2-19-11-6-7-23-14(11)13(20)12(16(19)22)15(21)18-10-5-3-4-9(17)8-10/h3-8,20H,2H2,1H3,(H,18,21)
InChIKeyYYGIDBZDSKIMIE-UHFFFAOYSA-N
XLogP3.69
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-7-hydroxy-N-(3-methylphenyl)-5-oxothieno[3,2-b]pyridine-6-carboxamide
CID 54734490
N-(3,4-difluorophenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide
CID 54734497
N-(3,4-dimethoxyphenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide
CID 54733567
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide
CID 54734505
N-(3-fluorophenyl)-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carboxamide
CID 54734443
N-(4-chlorophenyl)-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carboxamide
CID 54734438
N-(3-chlorophenyl)-4-hydroxy-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide
CID 54679607
1-ethyl-N-(3-fluorophenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54678823
N-(3-chlorophenyl)-2-[3-(3-methoxypropyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 6486302
N-(2,4-difluorophenyl)-7-hydroxy-5-oxo-4-propylthieno[3,2-b]pyridine-6-carboxamide
CID 54734518
1-benzyl-N-(3-chlorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727016
N-(2,4-dichlorophenyl)-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54685317

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide (CID 54734487) is N-(3-chlorophenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide is CCn1c(=O)c(C(=O)Nc2cccc(Cl)c2)c(O)c2sccc21.
What is the InChIKey of N-(3-chlorophenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide?
The InChIKey is YYGIDBZDSKIMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3S/c1-2-19-11-6-7-23-14(11)13(20)12(16(19)22)15(21)18-10-5-3-4-9(17)8-10/h3-8,20H,2H2,1H3,(H,18,21).
What are the key properties of N-(3-chlorophenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide?
N-(3-chlorophenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide has a molecular weight of 348.81 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 54734487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).