2-(2-amino-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-N-methyl-5-nitrobenzamide

C16H15N5O3S — CID 133331153

IUPAC2-(2-amino-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-N-methyl-5-nitrobenzamide
SMILESCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCc2c(sc(N)c2C#N)C1
InChIInChI=1S/C16H15N5O3S/c1-19-16(22)11-6-9(21(23)24)2-3-13(11)20-5-4-10-12(7-17)15(18)25-14(10)8-20/h2-3,6H,4-5,8,18H2,1H3,(H,19,22)
InChIKeyZIRCZAOCEQCSPL-UHFFFAOYSA-N
MW357.40 g/mol
LogP2.03
Rot. Bonds3

About 2-(2-amino-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-N-methyl-5-nitrobenzamide

2-(2-amino-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-N-methyl-5-nitrobenzamide (PubChem CID 133331153) has the molecular formula C16H15N5O3S and a molecular weight of 357.40 g/mol. Its IUPAC name is 2-(2-amino-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-N-methyl-5-nitrobenzamide.

Molecular Properties

Compound Name2-(2-amino-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-N-methyl-5-nitrobenzamide
PubChem CID133331153
Molecular FormulaC16H15N5O3S
Molecular Weight357.40 g/mol
Exact Mass357.09
IUPAC Name2-(2-amino-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-N-methyl-5-nitrobenzamide
SMILESCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCc2c(sc(N)c2C#N)C1
InChIInChI=1S/C16H15N5O3S/c1-19-16(22)11-6-9(21(23)24)2-3-13(11)20-5-4-10-12(7-17)15(18)25-14(10)8-20/h2-3,6H,4-5,8,18H2,1H3,(H,19,22)
InChIKeyZIRCZAOCEQCSPL-UHFFFAOYSA-N
XLogP2.03
TPSA125.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(2-amino-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-N-methyl-5-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-6-(4-cyano-2-nitrophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 46663248
2-amino-6-(3-methyl-5-nitro-2-pyridinyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 133331136
2-amino-6-(2-cyano-4-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 71862576
2-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-5-nitrobenzamide
CID 133309071
ethane;N-methyl-2-(4-methylpiperazin-1-yl)-5-nitrobenzamide
CID 145134608
N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-morpholin-4-yl-5-nitrobenzamide
CID 51571030
N-[(6R)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-morpholin-4-yl-5-nitrobenzamide
CID 51571029
2-amino-6-(3-ethoxy-4-nitrophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 133331190
2-amino-6-[4-cyano-2-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 133331121
N-methyl-2-(3-methylpyrrolidin-1-yl)-5-nitrobenzamide
CID 86879051
2-(4-benzoylpiperazin-1-yl)-N-methyl-5-nitrobenzamide
CID 87020739
2-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-methyl-5-nitrobenzamide
CID 133305484

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-N-methyl-5-nitrobenzamide?
The IUPAC name of 2-(2-amino-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-N-methyl-5-nitrobenzamide (CID 133331153) is 2-(2-amino-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-N-methyl-5-nitrobenzamide.
What is the SMILES notation for 2-(2-amino-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-N-methyl-5-nitrobenzamide?
The canonical SMILES for 2-(2-amino-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-N-methyl-5-nitrobenzamide is CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCc2c(sc(N)c2C#N)C1.
What is the InChIKey of 2-(2-amino-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-N-methyl-5-nitrobenzamide?
The InChIKey is ZIRCZAOCEQCSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3S/c1-19-16(22)11-6-9(21(23)24)2-3-13(11)20-5-4-10-12(7-17)15(18)25-14(10)8-20/h2-3,6H,4-5,8,18H2,1H3,(H,19,22).
What are the key properties of 2-(2-amino-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-N-methyl-5-nitrobenzamide?
2-(2-amino-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-N-methyl-5-nitrobenzamide has a molecular weight of 357.40 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-N-methyl-5-nitrobenzamide is sourced from PubChem (CID 133331153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).