2-amino-6-(4-cyano-2-nitrophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile

C15H11N5O2S — CID 46663248

IUPAC2-amino-6-(4-cyano-2-nitrophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCc3c(sc(N)c3C#N)C2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H11N5O2S/c16-6-9-1-2-12(13(5-9)20(21)22)19-4-3-10-11(7-17)15(18)23-14(10)8-19/h1-2,5H,3-4,8,18H2
InChIKeyPLCSYYWCRVCCJM-UHFFFAOYSA-N
MW325.35 g/mol
LogP2.54
Rot. Bonds2

About 2-amino-6-(4-cyano-2-nitrophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile

2-amino-6-(4-cyano-2-nitrophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile (PubChem CID 46663248) has the molecular formula C15H11N5O2S and a molecular weight of 325.35 g/mol. Its IUPAC name is 2-amino-6-(4-cyano-2-nitrophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(4-cyano-2-nitrophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
PubChem CID46663248
Molecular FormulaC15H11N5O2S
Molecular Weight325.35 g/mol
Exact Mass325.06
IUPAC Name2-amino-6-(4-cyano-2-nitrophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCc3c(sc(N)c3C#N)C2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H11N5O2S/c16-6-9-1-2-12(13(5-9)20(21)22)19-4-3-10-11(7-17)15(18)23-14(10)8-19/h1-2,5H,3-4,8,18H2
InChIKeyPLCSYYWCRVCCJM-UHFFFAOYSA-N
XLogP2.54
TPSA119.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
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-amino-6-[4-cyano-2-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 133331121
2-(2-amino-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-N-methyl-5-nitrobenzamide
CID 133331153
2-amino-6-(2-cyano-4-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 71862576
2-amino-6-(3-ethoxy-4-nitrophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 133331190
2-amino-6-(3-methyl-5-nitro-2-pyridinyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 133331136
3-nitro-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)benzonitrile
CID 133288348
2-amino-6-[4-cyano-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 133331101
4-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]-3-nitrobenzonitrile
CID 71861507
4-(3-methylpiperazin-1-yl)-3-nitrobenzonitrile
CID 62478922
4-[3-(aminomethyl)pyrrolidin-1-yl]-3-nitrobenzonitrile
CID 55030903
4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-nitrobenzonitrile
CID 40560292
1-(4-cyano-2-nitrophenyl)pyrrolidine-3-carboxylic acid
CID 63031844

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-cyano-2-nitrophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(4-cyano-2-nitrophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile (CID 46663248) is 2-amino-6-(4-cyano-2-nitrophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(4-cyano-2-nitrophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(4-cyano-2-nitrophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile is N#Cc1ccc(N2CCc3c(sc(N)c3C#N)C2)c([N+](=O)[O-])c1.
What is the InChIKey of 2-amino-6-(4-cyano-2-nitrophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The InChIKey is PLCSYYWCRVCCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O2S/c16-6-9-1-2-12(13(5-9)20(21)22)19-4-3-10-11(7-17)15(18)23-14(10)8-19/h1-2,5H,3-4,8,18H2.
What are the key properties of 2-amino-6-(4-cyano-2-nitrophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
2-amino-6-(4-cyano-2-nitrophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile has a molecular weight of 325.35 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-cyano-2-nitrophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile is sourced from PubChem (CID 46663248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).