6-ethyl-2-[(5-nitrothiophene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride

C15H17ClN4O4S2 — CID 16813892

IUPAC6-ethyl-2-[(5-nitrothiophene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
SMILESCCN1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])s3)c2C(N)=O)C1.Cl
InChIInChI=1S/C15H16N4O4S2.ClH/c1-2-18-6-5-8-10(7-18)25-15(12(8)13(16)20)17-14(21)9-3-4-11(24-9)19(22)23;/h3-4H,2,5-7H2,1H3,(H2,16,20)(H,17,21);1H
InChIKeyDPVJEEVCYAMDHN-UHFFFAOYSA-N
MW416.91 g/mol
LogP2.87
Rot. Bonds5

About 6-ethyl-2-[(5-nitrothiophene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride

6-ethyl-2-[(5-nitrothiophene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride (PubChem CID 16813892) has the molecular formula C15H17ClN4O4S2 and a molecular weight of 416.91 g/mol. Its IUPAC name is 6-ethyl-2-[(5-nitrothiophene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-ethyl-2-[(5-nitrothiophene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
PubChem CID16813892
Molecular FormulaC15H17ClN4O4S2
Molecular Weight416.91 g/mol
Exact Mass416.04
IUPAC Name6-ethyl-2-[(5-nitrothiophene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
SMILESCCN1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])s3)c2C(N)=O)C1.Cl
InChIInChI=1S/C15H16N4O4S2.ClH/c1-2-18-6-5-8-10(7-18)25-15(12(8)13(16)20)17-14(21)9-3-4-11(24-9)19(22)23;/h3-4H,2,5-7H2,1H3,(H2,16,20)(H,17,21);1H
InChIKeyDPVJEEVCYAMDHN-UHFFFAOYSA-N
XLogP2.87
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.91
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(5-nitrothiophene-2-carbonyl)amino]-6-N-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxamide
CID 86577297
2-acetamido-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4054678
2-[(5-nitrothiophene-2-carbonyl)amino]-6-(phenylcarbamothioyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 86577340
6-ethyl-2-(naphthalene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 16798261
2-[[4-(diethylsulfamoyl)benzoyl]amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 16806226
2-[[4-(dimethylamino)benzoyl]amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 3516740
2-[(4-ethoxybenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4161508
2-[(2-methyl-3-nitrobenzoyl)amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 43950391
ethyl 2-[(5-chlorothiophene-2-carbonyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 3344598
6-benzyl-2-[3-(5-nitrothiophen-2-yl)prop-2-enoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4107308
2-[3-(4-chlorophenyl)sulfonylpropanoylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 16832989
6-benzyl-2-[(5-nitro-1-benzothiophene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4095185

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-[(5-nitrothiophene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 6-ethyl-2-[(5-nitrothiophene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride (CID 16813892) is 6-ethyl-2-[(5-nitrothiophene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 6-ethyl-2-[(5-nitrothiophene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 6-ethyl-2-[(5-nitrothiophene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride is CCN1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])s3)c2C(N)=O)C1.Cl.
What is the InChIKey of 6-ethyl-2-[(5-nitrothiophene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?
The InChIKey is DPVJEEVCYAMDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4S2.ClH/c1-2-18-6-5-8-10(7-18)25-15(12(8)13(16)20)17-14(21)9-3-4-11(24-9)19(22)23;/h3-4H,2,5-7H2,1H3,(H2,16,20)(H,17,21);1H.
What are the key properties of 6-ethyl-2-[(5-nitrothiophene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?
6-ethyl-2-[(5-nitrothiophene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride has a molecular weight of 416.91 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-[(5-nitrothiophene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 16813892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).