2-amino-6-(4-cyano-1-methylpyrrole-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile

C15H13N5OS — CID 75383467

IUPAC2-amino-6-(4-cyano-1-methylpyrrole-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
SMILESCn1cc(C#N)cc1C(=O)N1CCc2c(sc(N)c2C#N)C1
InChIInChI=1S/C15H13N5OS/c1-19-7-9(5-16)4-12(19)15(21)20-3-2-10-11(6-17)14(18)22-13(10)8-20/h4,7H,2-3,8,18H2,1H3
InChIKeyIABYKBVMCGUDDC-UHFFFAOYSA-N
MW311.37 g/mol
LogP1.61
Rot. Bonds1

About 2-amino-6-(4-cyano-1-methylpyrrole-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile

2-amino-6-(4-cyano-1-methylpyrrole-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile (PubChem CID 75383467) has the molecular formula C15H13N5OS and a molecular weight of 311.37 g/mol. Its IUPAC name is 2-amino-6-(4-cyano-1-methylpyrrole-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(4-cyano-1-methylpyrrole-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
PubChem CID75383467
Molecular FormulaC15H13N5OS
Molecular Weight311.37 g/mol
Exact Mass311.08
IUPAC Name2-amino-6-(4-cyano-1-methylpyrrole-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
SMILESCn1cc(C#N)cc1C(=O)N1CCc2c(sc(N)c2C#N)C1
InChIInChI=1S/C15H13N5OS/c1-19-7-9(5-16)4-12(19)15(21)20-3-2-10-11(6-17)14(18)22-13(10)8-20/h4,7H,2-3,8,18H2,1H3
InChIKeyIABYKBVMCGUDDC-UHFFFAOYSA-N
XLogP1.61
TPSA98.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-cyano-1-methylpyrrole-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(4-cyano-1-methylpyrrole-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile (CID 75383467) is 2-amino-6-(4-cyano-1-methylpyrrole-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(4-cyano-1-methylpyrrole-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(4-cyano-1-methylpyrrole-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile is Cn1cc(C#N)cc1C(=O)N1CCc2c(sc(N)c2C#N)C1.
What is the InChIKey of 2-amino-6-(4-cyano-1-methylpyrrole-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The InChIKey is IABYKBVMCGUDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5OS/c1-19-7-9(5-16)4-12(19)15(21)20-3-2-10-11(6-17)14(18)22-13(10)8-20/h4,7H,2-3,8,18H2,1H3.
What are the key properties of 2-amino-6-(4-cyano-1-methylpyrrole-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
2-amino-6-(4-cyano-1-methylpyrrole-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile has a molecular weight of 311.37 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-cyano-1-methylpyrrole-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile is sourced from PubChem (CID 75383467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).