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

C19H18ClN3O5S — CID 54727883

IUPAC5-N-(3-chloro-4-methoxyphenyl)-4-hydroxy-2-N,2-N,3-trimethyl-6-oxo-7H-thieno[2,3-b]pyridine-2,5-dicarboxamide
SMILESCOc1ccc(NC(=O)c2c(O)c3c(C)c(C(=O)N(C)C)sc3[nH]c2=O)cc1Cl
InChIInChI=1S/C19H18ClN3O5S/c1-8-12-14(24)13(16(25)21-9-5-6-11(28-4)10(20)7-9)17(26)22-18(12)29-15(8)19(27)23(2)3/h5-7H,1-4H3,(H,21,25)(H2,22,24,26)
InChIKeySHFBPMWHHNAYFI-UHFFFAOYSA-N
MW435.89 g/mol
LogP3.22
Rot. Bonds4

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

5-N-(3-chloro-4-methoxyphenyl)-4-hydroxy-2-N,2-N,3-trimethyl-6-oxo-7H-thieno[2,3-b]pyridine-2,5-dicarboxamide (PubChem CID 54727883) has the molecular formula C19H18ClN3O5S and a molecular weight of 435.89 g/mol. Its IUPAC name is 5-N-(3-chloro-4-methoxyphenyl)-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-methoxyphenyl)-4-hydroxy-2-N,2-N,3-trimethyl-6-oxo-7H-thieno[2,3-b]pyridine-2,5-dicarboxamide
PubChem CID54727883
Molecular FormulaC19H18ClN3O5S
Molecular Weight435.89 g/mol
Exact Mass435.07
IUPAC Name5-N-(3-chloro-4-methoxyphenyl)-4-hydroxy-2-N,2-N,3-trimethyl-6-oxo-7H-thieno[2,3-b]pyridine-2,5-dicarboxamide
SMILESCOc1ccc(NC(=O)c2c(O)c3c(C)c(C(=O)N(C)C)sc3[nH]c2=O)cc1Cl
InChIInChI=1S/C19H18ClN3O5S/c1-8-12-14(24)13(16(25)21-9-5-6-11(28-4)10(20)7-9)17(26)22-18(12)29-15(8)19(27)23(2)3/h5-7H,1-4H3,(H,21,25)(H2,22,24,26)
InChIKeySHFBPMWHHNAYFI-UHFFFAOYSA-N
XLogP3.22
TPSA111.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.89
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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
N-(3-chloro-4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 1245952
1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-3-(4-ethylphenyl)-N,N,5-trimethyl-2,4-dioxothieno[2,3-d]pyrimidine-6-carboxamide
CID 5014059
methyl 5-[(3-chloro-4-methoxyphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 25393428
N-(3-chloro-4-methoxyphenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide
CID 113204882
N-(3-chloro-4-methoxyphenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 110859494
N-(3-chloro-4-methoxyphenyl)-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 135896939
N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 26245553
N-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 2470130
6-N-(3-chloro-4-methoxyphenyl)-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide
CID 109096594
N-(3-chloro-4-methoxyphenyl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 9083062
N-(3-chloro-4-methoxyphenyl)-4-methyl-2-(4-methylanilino)-1,3-thiazole-5-carboxamide
CID 53152974

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-chloro-4-methoxyphenyl)-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-methoxyphenyl)-4-hydroxy-2-N,2-N,3-trimethyl-6-oxo-7H-thieno[2,3-b]pyridine-2,5-dicarboxamide (CID 54727883) is 5-N-(3-chloro-4-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-4-hydroxy-2-N,2-N,3-trimethyl-6-oxo-7H-thieno[2,3-b]pyridine-2,5-dicarboxamide is COc1ccc(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-methoxyphenyl)-4-hydroxy-2-N,2-N,3-trimethyl-6-oxo-7H-thieno[2,3-b]pyridine-2,5-dicarboxamide?
The InChIKey is SHFBPMWHHNAYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O5S/c1-8-12-14(24)13(16(25)21-9-5-6-11(28-4)10(20)7-9)17(26)22-18(12)29-15(8)19(27)23(2)3/h5-7H,1-4H3,(H,21,25)(H2,22,24,26).
What are the key properties of 5-N-(3-chloro-4-methoxyphenyl)-4-hydroxy-2-N,2-N,3-trimethyl-6-oxo-7H-thieno[2,3-b]pyridine-2,5-dicarboxamide?
5-N-(3-chloro-4-methoxyphenyl)-4-hydroxy-2-N,2-N,3-trimethyl-6-oxo-7H-thieno[2,3-b]pyridine-2,5-dicarboxamide has a molecular weight of 435.89 g/mol, XLogP of 3.22, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-chloro-4-methoxyphenyl)-4-hydroxy-2-N,2-N,3-trimethyl-6-oxo-7H-thieno[2,3-b]pyridine-2,5-dicarboxamide is sourced from PubChem (CID 54727883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).