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

C16H12F2N2O3S — CID 69068688

IUPACN-(2,4-difluorophenyl)-7-hydroxy-N,4-dimethyl-5-oxothieno[3,2-b]pyridine-6-carboxamide
SMILESCN(C(=O)c1c(O)c2sccc2n(C)c1=O)c1ccc(F)cc1F
InChIInChI=1S/C16H12F2N2O3S/c1-19(10-4-3-8(17)7-9(10)18)15(22)12-13(21)14-11(5-6-24-14)20(2)16(12)23/h3-7,21H,1-2H3
InChIKeyCCLSQUQDPFZTGW-UHFFFAOYSA-N
MW350.35 g/mol
LogP2.86
Rot. Bonds2

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

N-(2,4-difluorophenyl)-7-hydroxy-N,4-dimethyl-5-oxothieno[3,2-b]pyridine-6-carboxamide (PubChem CID 69068688) has the molecular formula C16H12F2N2O3S and a molecular weight of 350.35 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-7-hydroxy-N,4-dimethyl-5-oxothieno[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-7-hydroxy-N,4-dimethyl-5-oxothieno[3,2-b]pyridine-6-carboxamide
PubChem CID69068688
Molecular FormulaC16H12F2N2O3S
Molecular Weight350.35 g/mol
Exact Mass350.05
IUPAC NameN-(2,4-difluorophenyl)-7-hydroxy-N,4-dimethyl-5-oxothieno[3,2-b]pyridine-6-carboxamide
SMILESCN(C(=O)c1c(O)c2sccc2n(C)c1=O)c1ccc(F)cc1F
InChIInChI=1S/C16H12F2N2O3S/c1-19(10-4-3-8(17)7-9(10)18)15(22)12-13(21)14-11(5-6-24-14)20(2)16(12)23/h3-7,21H,1-2H3
InChIKeyCCLSQUQDPFZTGW-UHFFFAOYSA-N
XLogP2.86
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-7-hydroxy-N,4-dimethyl-5-oxothieno[3,2-b]pyridine-6-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-7-hydroxy-N,4-dimethyl-5-oxothieno[3,2-b]pyridine-6-carboxamide (CID 69068688) is N-(2,4-difluorophenyl)-7-hydroxy-N,4-dimethyl-5-oxothieno[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-7-hydroxy-N,4-dimethyl-5-oxothieno[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-7-hydroxy-N,4-dimethyl-5-oxothieno[3,2-b]pyridine-6-carboxamide is CN(C(=O)c1c(O)c2sccc2n(C)c1=O)c1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-7-hydroxy-N,4-dimethyl-5-oxothieno[3,2-b]pyridine-6-carboxamide?
The InChIKey is CCLSQUQDPFZTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O3S/c1-19(10-4-3-8(17)7-9(10)18)15(22)12-13(21)14-11(5-6-24-14)20(2)16(12)23/h3-7,21H,1-2H3.
What are the key properties of N-(2,4-difluorophenyl)-7-hydroxy-N,4-dimethyl-5-oxothieno[3,2-b]pyridine-6-carboxamide?
N-(2,4-difluorophenyl)-7-hydroxy-N,4-dimethyl-5-oxothieno[3,2-b]pyridine-6-carboxamide has a molecular weight of 350.35 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-7-hydroxy-N,4-dimethyl-5-oxothieno[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 69068688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).