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

C19H19N3O5S — CID 41107822

IUPAC6-acetyl-2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCC(=O)N1CCc2c(sc(NC(=O)Cc3ccc4c(c3)OCO4)c2C(N)=O)C1
InChIInChI=1S/C19H19N3O5S/c1-10(23)22-5-4-12-15(8-22)28-19(17(12)18(20)25)21-16(24)7-11-2-3-13-14(6-11)27-9-26-13/h2-3,6H,4-5,7-9H2,1H3,(H2,20,25)(H,21,24)
InChIKeySTVHARTTZFMIKJ-UHFFFAOYSA-N
MW401.44 g/mol
LogP1.66
Rot. Bonds4

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

6-acetyl-2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 41107822) has the molecular formula C19H19N3O5S and a molecular weight of 401.44 g/mol. Its IUPAC name is 6-acetyl-2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-acetyl-2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID41107822
Molecular FormulaC19H19N3O5S
Molecular Weight401.44 g/mol
Exact Mass401.10
IUPAC Name6-acetyl-2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCC(=O)N1CCc2c(sc(NC(=O)Cc3ccc4c(c3)OCO4)c2C(N)=O)C1
InChIInChI=1S/C19H19N3O5S/c1-10(23)22-5-4-12-15(8-22)28-19(17(12)18(20)25)21-16(24)7-11-2-3-13-14(6-11)27-9-26-13/h2-3,6H,4-5,7-9H2,1H3,(H2,20,25)(H,21,24)
InChIKeySTVHARTTZFMIKJ-UHFFFAOYSA-N
XLogP1.66
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
ethyl 6-acetyl-2-(1,3-benzodioxole-5-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 40959584
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
6-acetyl-2-[(5-chlorothiophene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4119778
6-acetyl-2-[(4-acetylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 3388169
ethyl 2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 41107755
6-O-ethyl 3-O-methyl 2-(1,3-benzodioxole-5-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
CID 40959593
6-acetyl-2-[(2,4-dichlorobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 3264153
6-acetyl-2-[(4-oxochromene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 3602420
2-[[2-(4-fluorophenyl)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide chloride
CID 53352740
6-acetyl-2-[(5-chloro-2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 43950461
methyl 6-acetyl-2-[[2-(5-chlorothiophen-2-yl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 41340539

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 6-acetyl-2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 41107822) is 6-acetyl-2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-acetyl-2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 6-acetyl-2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CC(=O)N1CCc2c(sc(NC(=O)Cc3ccc4c(c3)OCO4)c2C(N)=O)C1.
What is the InChIKey of 6-acetyl-2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is STVHARTTZFMIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5S/c1-10(23)22-5-4-12-15(8-22)28-19(17(12)18(20)25)21-16(24)7-11-2-3-13-14(6-11)27-9-26-13/h2-3,6H,4-5,7-9H2,1H3,(H2,20,25)(H,21,24).
What are the key properties of 6-acetyl-2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
6-acetyl-2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 401.44 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 41107822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).