2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride

C18H20ClN3O4S — CID 44917658

IUPAC2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
SMILESCN1CCc2c(sc(NC(=O)Cc3ccc4c(c3)OCO4)c2C(N)=O)C1.Cl
InChIInChI=1S/C18H19N3O4S.ClH/c1-21-5-4-11-14(8-21)26-18(16(11)17(19)23)20-15(22)7-10-2-3-12-13(6-10)25-9-24-12;/h2-3,6H,4-5,7-9H2,1H3,(H2,19,23)(H,20,22);1H
InChIKeyQSIYKTDFIYWMHL-UHFFFAOYSA-N
MW409.90 g/mol
LogP2.17
Rot. Bonds4

About 2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride

2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride (PubChem CID 44917658) has the molecular formula C18H20ClN3O4S and a molecular weight of 409.90 g/mol. Its IUPAC name is 2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
PubChem CID44917658
Molecular FormulaC18H20ClN3O4S
Molecular Weight409.90 g/mol
Exact Mass409.09
IUPAC Name2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
SMILESCN1CCc2c(sc(NC(=O)Cc3ccc4c(c3)OCO4)c2C(N)=O)C1.Cl
InChIInChI=1S/C18H19N3O4S.ClH/c1-21-5-4-11-14(8-21)26-18(16(11)17(19)23)20-15(22)7-10-2-3-12-13(6-10)25-9-24-12;/h2-3,6H,4-5,7-9H2,1H3,(H2,19,23)(H,20,22);1H
InChIKeyQSIYKTDFIYWMHL-UHFFFAOYSA-N
XLogP2.17
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.90
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-acetyl-2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 41107822
2-[[2-(4-fluorophenyl)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide chloride
CID 53352740
methyl 2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;hydrochloride
CID 44917665
2-(1,3-benzodioxole-5-carbonylamino)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 28860897
6-methyl-2-(propanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4231286
2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 7545569
2-[(2-cyclopropylacetyl)amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 155961441
ethyl 2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 41107755
6-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 3293195
2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide chloride
CID 53352855
2-[(3,5-dichlorobenzoyl)amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4091163
methyl N-[2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonyl]carbamate
CID 41108205

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride (CID 44917658) is 2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride is CN1CCc2c(sc(NC(=O)Cc3ccc4c(c3)OCO4)c2C(N)=O)C1.Cl.
What is the InChIKey of 2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?
The InChIKey is QSIYKTDFIYWMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S.ClH/c1-21-5-4-11-14(8-21)26-18(16(11)17(19)23)20-15(22)7-10-2-3-12-13(6-10)25-9-24-12;/h2-3,6H,4-5,7-9H2,1H3,(H2,19,23)(H,20,22);1H.
What are the key properties of 2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?
2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride has a molecular weight of 409.90 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 44917658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).