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

C19H18ClN3O4S — CID 54727886

IUPAC5-N-(3-chloro-4-methylphenyl)-4-hydroxy-2-N,2-N,3-trimethyl-6-oxo-7H-thieno[2,3-b]pyridine-2,5-dicarboxamide
SMILESCc1ccc(NC(=O)c2c(O)c3c(C)c(C(=O)N(C)C)sc3[nH]c2=O)cc1Cl
InChIInChI=1S/C19H18ClN3O4S/c1-8-5-6-10(7-11(8)20)21-16(25)13-14(24)12-9(2)15(19(27)23(3)4)28-18(12)22-17(13)26/h5-7H,1-4H3,(H,21,25)(H2,22,24,26)
InChIKeyFMIPUOHVRYKYTP-UHFFFAOYSA-N
MW419.89 g/mol
LogP3.52
Rot. Bonds3

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

5-N-(3-chloro-4-methylphenyl)-4-hydroxy-2-N,2-N,3-trimethyl-6-oxo-7H-thieno[2,3-b]pyridine-2,5-dicarboxamide (PubChem CID 54727886) has the molecular formula C19H18ClN3O4S and a molecular weight of 419.89 g/mol. Its IUPAC name is 5-N-(3-chloro-4-methylphenyl)-4-hydroxy-2-N,2-N,3-trimethyl-6-oxo-7H-thieno[2,3-b]pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(3-chloro-4-methylphenyl)-4-hydroxy-2-N,2-N,3-trimethyl-6-oxo-7H-thieno[2,3-b]pyridine-2,5-dicarboxamide
PubChem CID54727886
Molecular FormulaC19H18ClN3O4S
Molecular Weight419.89 g/mol
Exact Mass419.07
IUPAC Name5-N-(3-chloro-4-methylphenyl)-4-hydroxy-2-N,2-N,3-trimethyl-6-oxo-7H-thieno[2,3-b]pyridine-2,5-dicarboxamide
SMILESCc1ccc(NC(=O)c2c(O)c3c(C)c(C(=O)N(C)C)sc3[nH]c2=O)cc1Cl
InChIInChI=1S/C19H18ClN3O4S/c1-8-5-6-10(7-11(8)20)21-16(25)13-14(24)12-9(2)15(19(27)23(3)4)28-18(12)22-17(13)26/h5-7H,1-4H3,(H,21,25)(H2,22,24,26)
InChIKeyFMIPUOHVRYKYTP-UHFFFAOYSA-N
XLogP3.52
TPSA102.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.89
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-(3-chloro-4-methylphenyl)-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-(3-chloro-4-methylphenyl)-4-hydroxy-2-N,2-N,3-trimethyl-6-oxo-7H-thieno[2,3-b]pyridine-2,5-dicarboxamide (CID 54727886) is 5-N-(3-chloro-4-methylphenyl)-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-(3-chloro-4-methylphenyl)-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-(3-chloro-4-methylphenyl)-4-hydroxy-2-N,2-N,3-trimethyl-6-oxo-7H-thieno[2,3-b]pyridine-2,5-dicarboxamide is Cc1ccc(NC(=O)c2c(O)c3c(C)c(C(=O)N(C)C)sc3[nH]c2=O)cc1Cl.
What is the InChIKey of 5-N-(3-chloro-4-methylphenyl)-4-hydroxy-2-N,2-N,3-trimethyl-6-oxo-7H-thieno[2,3-b]pyridine-2,5-dicarboxamide?
The InChIKey is FMIPUOHVRYKYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O4S/c1-8-5-6-10(7-11(8)20)21-16(25)13-14(24)12-9(2)15(19(27)23(3)4)28-18(12)22-17(13)26/h5-7H,1-4H3,(H,21,25)(H2,22,24,26).
What are the key properties of 5-N-(3-chloro-4-methylphenyl)-4-hydroxy-2-N,2-N,3-trimethyl-6-oxo-7H-thieno[2,3-b]pyridine-2,5-dicarboxamide?
5-N-(3-chloro-4-methylphenyl)-4-hydroxy-2-N,2-N,3-trimethyl-6-oxo-7H-thieno[2,3-b]pyridine-2,5-dicarboxamide has a molecular weight of 419.89 g/mol, XLogP of 3.52, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-chloro-4-methylphenyl)-4-hydroxy-2-N,2-N,3-trimethyl-6-oxo-7H-thieno[2,3-b]pyridine-2,5-dicarboxamide is sourced from PubChem (CID 54727886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).