5-N-(2,4-dichlorophenyl)-4-hydroxy-2-N,2-N,3-trimethyl-6-oxo-7H-thieno[2,3-b]pyridine-2,5-dicarboxamide

C18H15Cl2N3O4S — CID 54727878

IUPAC5-N-(2,4-dichlorophenyl)-4-hydroxy-2-N,2-N,3-trimethyl-6-oxo-7H-thieno[2,3-b]pyridine-2,5-dicarboxamide
SMILESCc1c(C(=O)N(C)C)sc2[nH]c(=O)c(C(=O)Nc3ccc(Cl)cc3Cl)c(O)c12
InChIInChI=1S/C18H15Cl2N3O4S/c1-7-11-13(24)12(15(25)21-10-5-4-8(19)6-9(10)20)16(26)22-17(11)28-14(7)18(27)23(2)3/h4-6H,1-3H3,(H,21,25)(H2,22,24,26)
InChIKeyBZBHIEIRIGOVNG-UHFFFAOYSA-N
MW440.31 g/mol
LogP3.86
Rot. Bonds3

About 5-N-(2,4-dichlorophenyl)-4-hydroxy-2-N,2-N,3-trimethyl-6-oxo-7H-thieno[2,3-b]pyridine-2,5-dicarboxamide

5-N-(2,4-dichlorophenyl)-4-hydroxy-2-N,2-N,3-trimethyl-6-oxo-7H-thieno[2,3-b]pyridine-2,5-dicarboxamide (PubChem CID 54727878) has the molecular formula C18H15Cl2N3O4S and a molecular weight of 440.31 g/mol. Its IUPAC name is 5-N-(2,4-dichlorophenyl)-4-hydroxy-2-N,2-N,3-trimethyl-6-oxo-7H-thieno[2,3-b]pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(2,4-dichlorophenyl)-4-hydroxy-2-N,2-N,3-trimethyl-6-oxo-7H-thieno[2,3-b]pyridine-2,5-dicarboxamide
PubChem CID54727878
Molecular FormulaC18H15Cl2N3O4S
Molecular Weight440.31 g/mol
Exact Mass439.02
IUPAC Name5-N-(2,4-dichlorophenyl)-4-hydroxy-2-N,2-N,3-trimethyl-6-oxo-7H-thieno[2,3-b]pyridine-2,5-dicarboxamide
SMILESCc1c(C(=O)N(C)C)sc2[nH]c(=O)c(C(=O)Nc3ccc(Cl)cc3Cl)c(O)c12
InChIInChI=1S/C18H15Cl2N3O4S/c1-7-11-13(24)12(15(25)21-10-5-4-8(19)6-9(10)20)16(26)22-17(11)28-14(7)18(27)23(2)3/h4-6H,1-3H3,(H,21,25)(H2,22,24,26)
InChIKeyBZBHIEIRIGOVNG-UHFFFAOYSA-N
XLogP3.86
TPSA102.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.31
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2,4-dichlorophenyl)-4-hydroxy-2-N,2-N,3-trimethyl-6-oxo-7H-thieno[2,3-b]pyridine-2,5-dicarboxamide?
The IUPAC name of 5-N-(2,4-dichlorophenyl)-4-hydroxy-2-N,2-N,3-trimethyl-6-oxo-7H-thieno[2,3-b]pyridine-2,5-dicarboxamide (CID 54727878) is 5-N-(2,4-dichlorophenyl)-4-hydroxy-2-N,2-N,3-trimethyl-6-oxo-7H-thieno[2,3-b]pyridine-2,5-dicarboxamide.
What is the SMILES notation for 5-N-(2,4-dichlorophenyl)-4-hydroxy-2-N,2-N,3-trimethyl-6-oxo-7H-thieno[2,3-b]pyridine-2,5-dicarboxamide?
The canonical SMILES for 5-N-(2,4-dichlorophenyl)-4-hydroxy-2-N,2-N,3-trimethyl-6-oxo-7H-thieno[2,3-b]pyridine-2,5-dicarboxamide is Cc1c(C(=O)N(C)C)sc2[nH]c(=O)c(C(=O)Nc3ccc(Cl)cc3Cl)c(O)c12.
What is the InChIKey of 5-N-(2,4-dichlorophenyl)-4-hydroxy-2-N,2-N,3-trimethyl-6-oxo-7H-thieno[2,3-b]pyridine-2,5-dicarboxamide?
The InChIKey is BZBHIEIRIGOVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O4S/c1-7-11-13(24)12(15(25)21-10-5-4-8(19)6-9(10)20)16(26)22-17(11)28-14(7)18(27)23(2)3/h4-6H,1-3H3,(H,21,25)(H2,22,24,26).
What are the key properties of 5-N-(2,4-dichlorophenyl)-4-hydroxy-2-N,2-N,3-trimethyl-6-oxo-7H-thieno[2,3-b]pyridine-2,5-dicarboxamide?
5-N-(2,4-dichlorophenyl)-4-hydroxy-2-N,2-N,3-trimethyl-6-oxo-7H-thieno[2,3-b]pyridine-2,5-dicarboxamide has a molecular weight of 440.31 g/mol, XLogP of 3.86, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,4-dichlorophenyl)-4-hydroxy-2-N,2-N,3-trimethyl-6-oxo-7H-thieno[2,3-b]pyridine-2,5-dicarboxamide is sourced from PubChem (CID 54727878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).