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

C16H13FN2O3S — CID 54733562

IUPACN-(4-fluoro-2-methylphenyl)-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1c(O)c2sccc2n(C)c1=O
InChIInChI=1S/C16H13FN2O3S/c1-8-7-9(17)3-4-10(8)18-15(21)12-13(20)14-11(5-6-23-14)19(2)16(12)22/h3-7,20H,1-2H3,(H,18,21)
InChIKeyJMDYXCPXRINHMF-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.01
Rot. Bonds2

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

N-(4-fluoro-2-methylphenyl)-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carboxamide (PubChem CID 54733562) has the molecular formula C16H13FN2O3S and a molecular weight of 332.36 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carboxamide
PubChem CID54733562
Molecular FormulaC16H13FN2O3S
Molecular Weight332.36 g/mol
Exact Mass332.06
IUPAC NameN-(4-fluoro-2-methylphenyl)-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1c(O)c2sccc2n(C)c1=O
InChIInChI=1S/C16H13FN2O3S/c1-8-7-9(17)3-4-10(8)18-15(21)12-13(20)14-11(5-6-23-14)19(2)16(12)22/h3-7,20H,1-2H3,(H,18,21)
InChIKeyJMDYXCPXRINHMF-UHFFFAOYSA-N
XLogP3.01
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carboxamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carboxamide (CID 54733562) is N-(4-fluoro-2-methylphenyl)-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carboxamide is Cc1cc(F)ccc1NC(=O)c1c(O)c2sccc2n(C)c1=O.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carboxamide?
The InChIKey is JMDYXCPXRINHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3S/c1-8-7-9(17)3-4-10(8)18-15(21)12-13(20)14-11(5-6-23-14)19(2)16(12)22/h3-7,20H,1-2H3,(H,18,21).
What are the key properties of N-(4-fluoro-2-methylphenyl)-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carboxamide?
N-(4-fluoro-2-methylphenyl)-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 54733562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).