4-hydroxy-N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-7-propan-2-ylthieno[2,3-b]pyridine-5-carboxamide;hydrochloride

C20H30ClN3O3S — CID 54749196

IUPAC4-hydroxy-N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-7-propan-2-ylthieno[2,3-b]pyridine-5-carboxamide;hydrochloride
SMILESCC1CCN(CCCNC(=O)c2c(O)c3ccsc3n(C(C)C)c2=O)CC1.Cl
InChIInChI=1S/C20H29N3O3S.ClH/c1-13(2)23-19(26)16(17(24)15-7-12-27-20(15)23)18(25)21-8-4-9-22-10-5-14(3)6-11-22;/h7,12-14,24H,4-6,8-11H2,1-3H3,(H,21,25);1H
InChIKeyRZZWPIWMTQMYCQ-UHFFFAOYSA-N
MW428.00 g/mol
LogP3.62
Rot. Bonds6

About 4-hydroxy-N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-7-propan-2-ylthieno[2,3-b]pyridine-5-carboxamide;hydrochloride

4-hydroxy-N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-7-propan-2-ylthieno[2,3-b]pyridine-5-carboxamide;hydrochloride (PubChem CID 54749196) has the molecular formula C20H30ClN3O3S and a molecular weight of 428.00 g/mol. Its IUPAC name is 4-hydroxy-N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-7-propan-2-ylthieno[2,3-b]pyridine-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-hydroxy-N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-7-propan-2-ylthieno[2,3-b]pyridine-5-carboxamide;hydrochloride
PubChem CID54749196
Molecular FormulaC20H30ClN3O3S
Molecular Weight428.00 g/mol
Exact Mass427.17
IUPAC Name4-hydroxy-N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-7-propan-2-ylthieno[2,3-b]pyridine-5-carboxamide;hydrochloride
SMILESCC1CCN(CCCNC(=O)c2c(O)c3ccsc3n(C(C)C)c2=O)CC1.Cl
InChIInChI=1S/C20H29N3O3S.ClH/c1-13(2)23-19(26)16(17(24)15-7-12-27-20(15)23)18(25)21-8-4-9-22-10-5-14(3)6-11-22;/h7,12-14,24H,4-6,8-11H2,1-3H3,(H,21,25);1H
InChIKeyRZZWPIWMTQMYCQ-UHFFFAOYSA-N
XLogP3.62
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.00
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

VRX 03011 Potassium salt
CID 66863218
4-hydroxy-N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-7-[1-[6-oxo-7-propan-2-yl-5-[3-[4-(trifluoromethyl)piperidin-1-yl]propylcarbamoyl]thieno[2,3-b]pyridin-4-yl]oxypropan-2-yl]thieno[2,3-b]pyridine-5-carboxamide
CID 143153524
but-2-enedioic acid;4-hydroxy-6-oxo-N-(3-piperidin-1-ylpropyl)-7-propan-2-ylthieno[2,3-b]pyridine-5-carboxamide
CID 67316487
(Z)-but-2-enedioic acid;4-hydroxy-6-oxo-N-(3-piperidin-1-ylpropyl)-7-propan-2-ylthieno[2,3-b]pyridine-5-carboxamide;methane
CID 160756968
4-hydroxy-6-oxo-N-(3-piperidin-1-ylpropyl)-7-propan-2-ylthieno[2,3-b]pyridine-5-carboxamide;2-hydroxypropane-1,2,3-tricarboxylic acid;methane
CID 160641421
potassium 4-oxo-5-(3-piperidin-1-ylpropylcarbamoyl)-7-propan-2-ylthieno[2,3-b]pyridin-6-olate
CID 42615921
sodium 5-[3-(2,2,3,3,4,4,5,5,6,6-decadeuteriopiperidin-1-yl)propylcarbamoyl]-6-oxo-7-(1,1,1-trideuteriopropan-2-yl)thieno[2,3-b]pyridin-4-olate
CID 58119829
N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-3-carboxamide
CID 30541274
N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-2-carboxamide
CID 107261496
3-benzyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxophthalazine-1-carboxamide
CID 9051599
5-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]furan-2-carboxamide
CID 35416141
N-[4-[3-(4-methylpiperidin-1-yl)propylamino]-4-oxobutyl]thiophene-3-carboxamide
CID 35417013

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-7-propan-2-ylthieno[2,3-b]pyridine-5-carboxamide;hydrochloride?
The IUPAC name of 4-hydroxy-N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-7-propan-2-ylthieno[2,3-b]pyridine-5-carboxamide;hydrochloride (CID 54749196) is 4-hydroxy-N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-7-propan-2-ylthieno[2,3-b]pyridine-5-carboxamide;hydrochloride.
What is the SMILES notation for 4-hydroxy-N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-7-propan-2-ylthieno[2,3-b]pyridine-5-carboxamide;hydrochloride?
The canonical SMILES for 4-hydroxy-N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-7-propan-2-ylthieno[2,3-b]pyridine-5-carboxamide;hydrochloride is CC1CCN(CCCNC(=O)c2c(O)c3ccsc3n(C(C)C)c2=O)CC1.Cl.
What is the InChIKey of 4-hydroxy-N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-7-propan-2-ylthieno[2,3-b]pyridine-5-carboxamide;hydrochloride?
The InChIKey is RZZWPIWMTQMYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3S.ClH/c1-13(2)23-19(26)16(17(24)15-7-12-27-20(15)23)18(25)21-8-4-9-22-10-5-14(3)6-11-22;/h7,12-14,24H,4-6,8-11H2,1-3H3,(H,21,25);1H.
What are the key properties of 4-hydroxy-N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-7-propan-2-ylthieno[2,3-b]pyridine-5-carboxamide;hydrochloride?
4-hydroxy-N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-7-propan-2-ylthieno[2,3-b]pyridine-5-carboxamide;hydrochloride has a molecular weight of 428.00 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-7-propan-2-ylthieno[2,3-b]pyridine-5-carboxamide;hydrochloride is sourced from PubChem (CID 54749196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).