3-amino-N-(2-methylprop-2-enyl)thieno[2,3-c]pyridine-2-carboxamide

C12H13N3OS — CID 114619385

IUPAC3-amino-N-(2-methylprop-2-enyl)thieno[2,3-c]pyridine-2-carboxamide
SMILESC=C(C)CNC(=O)c1sc2cnccc2c1N
InChIInChI=1S/C12H13N3OS/c1-7(2)5-15-12(16)11-10(13)8-3-4-14-6-9(8)17-11/h3-4,6H,1,5,13H2,2H3,(H,15,16)
InChIKeySHRDIGNSLFZYRS-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.18
Rot. Bonds3

About 3-amino-N-(2-methylprop-2-enyl)thieno[2,3-c]pyridine-2-carboxamide

3-amino-N-(2-methylprop-2-enyl)thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 114619385) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 3-amino-N-(2-methylprop-2-enyl)thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-methylprop-2-enyl)thieno[2,3-c]pyridine-2-carboxamide
PubChem CID114619385
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name3-amino-N-(2-methylprop-2-enyl)thieno[2,3-c]pyridine-2-carboxamide
SMILESC=C(C)CNC(=O)c1sc2cnccc2c1N
InChIInChI=1S/C12H13N3OS/c1-7(2)5-15-12(16)11-10(13)8-3-4-14-6-9(8)17-11/h3-4,6H,1,5,13H2,2H3,(H,15,16)
InChIKeySHRDIGNSLFZYRS-UHFFFAOYSA-N
XLogP2.18
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(3-methylbutyl)thieno[2,3-c]pyridine-2-carboxamide
CID 113269830
3-amino-N-(pyridin-3-ylmethyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114289134
3-amino-N-[(E)-pent-3-enyl]thieno[2,3-c]pyridine-2-carboxamide
CID 113466186
3-amino-N-tert-butylthieno[2,3-c]pyridine-2-carboxamide
CID 113269822
3-amino-N',N'-dimethylthieno[2,3-c]pyridine-2-carbohydrazide
CID 83024926
3-amino-N-(2-but-3-enoxyethyl)thieno[2,3-c]pyridine-2-carboxamide
CID 106410277
3-amino-N-(2,2-difluoro-3-hydroxypropyl)thieno[2,3-c]pyridine-2-carboxamide
CID 106174325
3-amino-N-(2-hydroxy-3-methoxypropyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114289374
3-amino-N-(3-methoxy-2-methylpropyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114289302
3-amino-N-(3-methylpentan-3-yl)thieno[2,3-c]pyridine-2-carboxamide
CID 106331585
3-amino-N-(pyridazin-3-ylmethyl)thieno[2,3-c]pyridine-2-carboxamide
CID 106898056
3-amino-N-(3-sulfamoylpropyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114289295

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methylprop-2-enyl)thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(2-methylprop-2-enyl)thieno[2,3-c]pyridine-2-carboxamide (CID 114619385) is 3-amino-N-(2-methylprop-2-enyl)thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-methylprop-2-enyl)thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-methylprop-2-enyl)thieno[2,3-c]pyridine-2-carboxamide is C=C(C)CNC(=O)c1sc2cnccc2c1N.
What is the InChIKey of 3-amino-N-(2-methylprop-2-enyl)thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is SHRDIGNSLFZYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-7(2)5-15-12(16)11-10(13)8-3-4-14-6-9(8)17-11/h3-4,6H,1,5,13H2,2H3,(H,15,16).
What are the key properties of 3-amino-N-(2-methylprop-2-enyl)thieno[2,3-c]pyridine-2-carboxamide?
3-amino-N-(2-methylprop-2-enyl)thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 247.32 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methylprop-2-enyl)thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 114619385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).