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

C20H17N3O5S — CID 3602420

IUPAC6-acetyl-2-[(4-oxochromene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCC(=O)N1CCc2c(sc(NC(=O)c3cc(=O)c4ccccc4o3)c2C(N)=O)C1
InChIInChI=1S/C20H17N3O5S/c1-10(24)23-7-6-12-16(9-23)29-20(17(12)18(21)26)22-19(27)15-8-13(25)11-4-2-3-5-14(11)28-15/h2-5,8H,6-7,9H2,1H3,(H2,21,26)(H,22,27)
InChIKeyWVMZPQBLCAJHQC-UHFFFAOYSA-N
MW411.44 g/mol
LogP2.11
Rot. Bonds3

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

6-acetyl-2-[(4-oxochromene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 3602420) has the molecular formula C20H17N3O5S and a molecular weight of 411.44 g/mol. Its IUPAC name is 6-acetyl-2-[(4-oxochromene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-acetyl-2-[(4-oxochromene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID3602420
Molecular FormulaC20H17N3O5S
Molecular Weight411.44 g/mol
Exact Mass411.09
IUPAC Name6-acetyl-2-[(4-oxochromene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCC(=O)N1CCc2c(sc(NC(=O)c3cc(=O)c4ccccc4o3)c2C(N)=O)C1
InChIInChI=1S/C20H17N3O5S/c1-10(24)23-7-6-12-16(9-23)29-20(17(12)18(21)26)22-19(27)15-8-13(25)11-4-2-3-5-14(11)28-15/h2-5,8H,6-7,9H2,1H3,(H2,21,26)(H,22,27)
InChIKeyWVMZPQBLCAJHQC-UHFFFAOYSA-N
XLogP2.11
TPSA122.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-acetyl-2-[(4-oxochromene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide with MolForge

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Related Compounds

6-O-ethyl 3-O-methyl 2-[(4-oxochromene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
CID 4071874
6-acetyl-2-[(2-oxochromene-3-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 5237626
methyl 6-benzyl-2-[(4-oxochromene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;hydrochloride
CID 71778295
6-acetyl-2-[(4-acetylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 3388169
6-acetyl-2-[(2,4-dichlorobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 3264153
6-acetyl-2-[(3,4,5-trimethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4230198
6-acetyl-2-[(5-chlorothiophene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4119778
ethyl 2-[(4-oxochromene-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 2339438
6-acetyl-2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 41107822
6-acetyl-2-[(5-chloro-2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 43950461
N-[4-[2-[[6-acetyl-3-(4-methylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]amino]-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
CID 155968106
4-oxo-N-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]chromene-2-carboxamide
CID 40775936

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-2-[(4-oxochromene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 6-acetyl-2-[(4-oxochromene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 3602420) is 6-acetyl-2-[(4-oxochromene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-acetyl-2-[(4-oxochromene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 6-acetyl-2-[(4-oxochromene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CC(=O)N1CCc2c(sc(NC(=O)c3cc(=O)c4ccccc4o3)c2C(N)=O)C1.
What is the InChIKey of 6-acetyl-2-[(4-oxochromene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is WVMZPQBLCAJHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O5S/c1-10(24)23-7-6-12-16(9-23)29-20(17(12)18(21)26)22-19(27)15-8-13(25)11-4-2-3-5-14(11)28-15/h2-5,8H,6-7,9H2,1H3,(H2,21,26)(H,22,27).
What are the key properties of 6-acetyl-2-[(4-oxochromene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
6-acetyl-2-[(4-oxochromene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 411.44 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-2-[(4-oxochromene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 3602420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).