2-amino-6-(3-methyl-5-nitro-2-pyridinyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile

C14H13N5O2S — CID 133331136

IUPAC2-amino-6-(3-methyl-5-nitro-2-pyridinyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
SMILESCc1cc([N+](=O)[O-])cnc1N1CCc2c(sc(N)c2C#N)C1
InChIInChI=1S/C14H13N5O2S/c1-8-4-9(19(20)21)6-17-14(8)18-3-2-10-11(5-15)13(16)22-12(10)7-18/h4,6H,2-3,7,16H2,1H3
InChIKeyBEGSUNZUBWDVKW-UHFFFAOYSA-N
MW315.36 g/mol
LogP2.38
Rot. Bonds2

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

2-amino-6-(3-methyl-5-nitro-2-pyridinyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile (PubChem CID 133331136) has the molecular formula C14H13N5O2S and a molecular weight of 315.36 g/mol. Its IUPAC name is 2-amino-6-(3-methyl-5-nitro-2-pyridinyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(3-methyl-5-nitro-2-pyridinyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
PubChem CID133331136
Molecular FormulaC14H13N5O2S
Molecular Weight315.36 g/mol
Exact Mass315.08
IUPAC Name2-amino-6-(3-methyl-5-nitro-2-pyridinyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
SMILESCc1cc([N+](=O)[O-])cnc1N1CCc2c(sc(N)c2C#N)C1
InChIInChI=1S/C14H13N5O2S/c1-8-4-9(19(20)21)6-17-14(8)18-3-2-10-11(5-15)13(16)22-12(10)7-18/h4,6H,2-3,7,16H2,1H3
InChIKeyBEGSUNZUBWDVKW-UHFFFAOYSA-N
XLogP2.38
TPSA109.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 52.38
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-(2-amino-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-N-methyl-5-nitrobenzamide
CID 133331153
2-amino-6-(4-cyano-2-nitrophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 46663248
2-amino-6-(3-ethoxy-4-nitrophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 133331190
2-amino-6-(5-cyano-1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 167778434
2-amino-6-(2-cyano-4-fluorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 71862576
2-amino-6-(3-chloro-4-pyridinyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 71924242
2-methyl-2-[4-(3-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]propanenitrile
CID 63343699
2-(4-methylpiperazin-1-yl)-5-nitropyridine-3-carbonitrile
CID 171095844
2-amino-6-[4-cyano-3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 133331101
6-acetyl-2-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 42281672
1-(3-methyl-5-nitro-2-pyridinyl)pyrrolidine-3,4-diol
CID 106673378
1-(3-methyl-5-nitro-2-pyridinyl)piperidin-4-ol
CID 62477755

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(3-methyl-5-nitro-2-pyridinyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(3-methyl-5-nitro-2-pyridinyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile (CID 133331136) is 2-amino-6-(3-methyl-5-nitro-2-pyridinyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(3-methyl-5-nitro-2-pyridinyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(3-methyl-5-nitro-2-pyridinyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile is Cc1cc([N+](=O)[O-])cnc1N1CCc2c(sc(N)c2C#N)C1.
What is the InChIKey of 2-amino-6-(3-methyl-5-nitro-2-pyridinyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The InChIKey is BEGSUNZUBWDVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2S/c1-8-4-9(19(20)21)6-17-14(8)18-3-2-10-11(5-15)13(16)22-12(10)7-18/h4,6H,2-3,7,16H2,1H3.
What are the key properties of 2-amino-6-(3-methyl-5-nitro-2-pyridinyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
2-amino-6-(3-methyl-5-nitro-2-pyridinyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile has a molecular weight of 315.36 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(3-methyl-5-nitro-2-pyridinyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile is sourced from PubChem (CID 133331136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).