4-benzyl-7-hydroxy-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide

C23H27N3O3S — CID 54734565

IUPAC4-benzyl-7-hydroxy-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide
SMILESCC1CCN(CCNC(=O)c2c(O)c3sccc3n(Cc3ccccc3)c2=O)CC1
InChIInChI=1S/C23H27N3O3S/c1-16-7-11-25(12-8-16)13-10-24-22(28)19-20(27)21-18(9-14-30-21)26(23(19)29)15-17-5-3-2-4-6-17/h2-6,9,14,16,27H,7-8,10-13,15H2,1H3,(H,24,28)
InChIKeyKWZKKFQROIZYMU-UHFFFAOYSA-N
MW425.55 g/mol
LogP3.28
Rot. Bonds6

About 4-benzyl-7-hydroxy-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide

4-benzyl-7-hydroxy-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide (PubChem CID 54734565) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is 4-benzyl-7-hydroxy-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name4-benzyl-7-hydroxy-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide
PubChem CID54734565
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC Name4-benzyl-7-hydroxy-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide
SMILESCC1CCN(CCNC(=O)c2c(O)c3sccc3n(Cc3ccccc3)c2=O)CC1
InChIInChI=1S/C23H27N3O3S/c1-16-7-11-25(12-8-16)13-10-24-22(28)19-20(27)21-18(9-14-30-21)26(23(19)29)15-17-5-3-2-4-6-17/h2-6,9,14,16,27H,7-8,10-13,15H2,1H3,(H,24,28)
InChIKeyKWZKKFQROIZYMU-UHFFFAOYSA-N
XLogP3.28
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-benzyl-7-hydroxy-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide with MolForge

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Related Compounds

4-Benzyl-N-butyl-7-hydroxy-5-oxo-4H,5H-thieno[3,2-B]pyridine-6-carboxamide
CID 54734557
4-benzyl-7-hydroxy-5-oxo-N-phenyl-4H,5H-thieno[3,2-b]pyridine-6-carboxamide
CID 54728186
7-hydroxy-5-oxo-N-{[3-(trifluoromethyl)phenyl]methyl}-4H,5H-thieno[3,2-b]pyridine-6-carboxamide
CID 54733601
4-benzyl-7-hydroxy-5-oxo-N-(2-phenylethyl)-4H,5H-thieno[3,2-b]pyridine-6-carboxamide
CID 54733605
N-(2-methylphenyl)-2-[6-(4-methylphenyl)-2-(methylthio)-5,7-dioxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-4(5H)-yl]acetamide
CID 54733609
4-Benzyl-N-[(4-fluorophenyl)methyl]-7-hydroxy-5-oxo-4H,5H-thieno[3,2-B]pyridine-6-carboxamide
CID 54734552
4-Benzyl-7-hydroxy-5-oxo-N-(1-phenylethyl)-4H,5H-thieno[3,2-B]pyridine-6-carboxamide
CID 54734554
4-benzyl-N-[(3-chlorophenyl)methyl]-7-hydroxy-5-oxo-4H,5H-thieno[3,2-b]pyridine-6-carboxamide
CID 54734555
4-Benzyl-N-[(2-chlorophenyl)methyl]-7-hydroxy-5-oxo-4H,5H-thieno[3,2-B]pyridine-6-carboxamide
CID 54734558
4-Benzyl-N-[(4-chlorophenyl)methyl]-7-hydroxy-5-oxo-4H,5H-thieno[3,2-B]pyridine-6-carboxamide
CID 54734559
4-Benzyl-7-hydroxy-5-oxo-N-[(oxolan-2-YL)methyl]-4H,5H-thieno[3,2-B]pyridine-6-carboxamide
CID 54734561
4-benzyl-N-(sec-butyl)-7-hydroxy-5-oxo-4,5-dihydrothieno[3,2-b]pyridine-6-carboxamide
CID 54734562

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-7-hydroxy-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide?
The IUPAC name of 4-benzyl-7-hydroxy-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide (CID 54734565) is 4-benzyl-7-hydroxy-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for 4-benzyl-7-hydroxy-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for 4-benzyl-7-hydroxy-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide is CC1CCN(CCNC(=O)c2c(O)c3sccc3n(Cc3ccccc3)c2=O)CC1.
What is the InChIKey of 4-benzyl-7-hydroxy-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide?
The InChIKey is KWZKKFQROIZYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-16-7-11-25(12-8-16)13-10-24-22(28)19-20(27)21-18(9-14-30-21)26(23(19)29)15-17-5-3-2-4-6-17/h2-6,9,14,16,27H,7-8,10-13,15H2,1H3,(H,24,28).
What are the key properties of 4-benzyl-7-hydroxy-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide?
4-benzyl-7-hydroxy-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide has a molecular weight of 425.55 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-7-hydroxy-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxothieno[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 54734565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).