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

C17H16N2O3S — CID 54734490

IUPAC4-ethyl-7-hydroxy-N-(3-methylphenyl)-5-oxothieno[3,2-b]pyridine-6-carboxamide
SMILESCCn1c(=O)c(C(=O)Nc2cccc(C)c2)c(O)c2sccc21
InChIInChI=1S/C17H16N2O3S/c1-3-19-12-7-8-23-15(12)14(20)13(17(19)22)16(21)18-11-6-4-5-10(2)9-11/h4-9,20H,3H2,1-2H3,(H,18,21)
InChIKeyVNAOLJBTSJTIDN-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.35
Rot. Bonds3

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

4-ethyl-7-hydroxy-N-(3-methylphenyl)-5-oxothieno[3,2-b]pyridine-6-carboxamide (PubChem CID 54734490) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is 4-ethyl-7-hydroxy-N-(3-methylphenyl)-5-oxothieno[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name4-ethyl-7-hydroxy-N-(3-methylphenyl)-5-oxothieno[3,2-b]pyridine-6-carboxamide
PubChem CID54734490
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name4-ethyl-7-hydroxy-N-(3-methylphenyl)-5-oxothieno[3,2-b]pyridine-6-carboxamide
SMILESCCn1c(=O)c(C(=O)Nc2cccc(C)c2)c(O)c2sccc21
InChIInChI=1S/C17H16N2O3S/c1-3-19-12-7-8-23-15(12)14(20)13(17(19)22)16(21)18-11-6-4-5-10(2)9-11/h4-9,20H,3H2,1-2H3,(H,18,21)
InChIKeyVNAOLJBTSJTIDN-UHFFFAOYSA-N
XLogP3.35
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.35
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-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-(2-chlorophenyl)-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide
CID 54734493
N-(3-fluorophenyl)-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carboxamide
CID 54734443
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-ethyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide
CID 54734505
4-hydroxy-N-(3-methylphenyl)-2-oxo-1-pentylquinoline-3-carboxamide
CID 54678423
1-ethyl-N-(3-fluorophenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54678823
N-(2,4-difluorophenyl)-7-hydroxy-5-oxo-4-propylthieno[3,2-b]pyridine-6-carboxamide
CID 54734518
2,6-dihydroxy-N-(3-methylphenyl)benzamide
CID 103748871
4-(8-ethyl-7-oxo-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-12-yl)-N-(3-methylphenyl)butanamide
CID 20904633
2-[3-(3-methylbutyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(3-methylphenyl)acetamide
CID 46922766

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-7-hydroxy-N-(3-methylphenyl)-5-oxothieno[3,2-b]pyridine-6-carboxamide?
The IUPAC name of 4-ethyl-7-hydroxy-N-(3-methylphenyl)-5-oxothieno[3,2-b]pyridine-6-carboxamide (CID 54734490) is 4-ethyl-7-hydroxy-N-(3-methylphenyl)-5-oxothieno[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for 4-ethyl-7-hydroxy-N-(3-methylphenyl)-5-oxothieno[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for 4-ethyl-7-hydroxy-N-(3-methylphenyl)-5-oxothieno[3,2-b]pyridine-6-carboxamide is CCn1c(=O)c(C(=O)Nc2cccc(C)c2)c(O)c2sccc21.
What is the InChIKey of 4-ethyl-7-hydroxy-N-(3-methylphenyl)-5-oxothieno[3,2-b]pyridine-6-carboxamide?
The InChIKey is VNAOLJBTSJTIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-3-19-12-7-8-23-15(12)14(20)13(17(19)22)16(21)18-11-6-4-5-10(2)9-11/h4-9,20H,3H2,1-2H3,(H,18,21).
What are the key properties of 4-ethyl-7-hydroxy-N-(3-methylphenyl)-5-oxothieno[3,2-b]pyridine-6-carboxamide?
4-ethyl-7-hydroxy-N-(3-methylphenyl)-5-oxothieno[3,2-b]pyridine-6-carboxamide has a molecular weight of 328.39 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-7-hydroxy-N-(3-methylphenyl)-5-oxothieno[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 54734490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).