3-amino-N-but-3-yn-2-yl-6-methylthieno[2,3-b]pyridine-2-carboxamide

C13H13N3OS — CID 114420605

IUPAC3-amino-N-but-3-yn-2-yl-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESC#CC(C)NC(=O)c1sc2nc(C)ccc2c1N
InChIInChI=1S/C13H13N3OS/c1-4-7(2)15-12(17)11-10(14)9-6-5-8(3)16-13(9)18-11/h1,5-7H,14H2,2-3H3,(H,15,17)
InChIKeyOWIISDDHZWETEC-UHFFFAOYSA-N
MW259.33 g/mol
LogP1.94
Rot. Bonds2

About 3-amino-N-but-3-yn-2-yl-6-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-but-3-yn-2-yl-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 114420605) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is 3-amino-N-but-3-yn-2-yl-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-but-3-yn-2-yl-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID114420605
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name3-amino-N-but-3-yn-2-yl-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESC#CC(C)NC(=O)c1sc2nc(C)ccc2c1N
InChIInChI=1S/C13H13N3OS/c1-4-7(2)15-12(17)11-10(14)9-6-5-8(3)16-13(9)18-11/h1,5-7H,14H2,2-3H3,(H,15,17)
InChIKeyOWIISDDHZWETEC-UHFFFAOYSA-N
XLogP1.94
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-N-but-3-yn-2-yl-6-methylthieno[2,3-b]pyridine-2-carboxamide 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

3-amino-N-(4-hydroxybutan-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 83180766
methyl 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate
CID 792057
3-amino-N-but-3-yn-2-yl-6-methoxy-1-benzothiophene-2-carboxamide
CID 114420596
N-(4-acetamidophenyl)-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 23944865
3-amino-6-methyl-N-(2-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23888932
2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]ethyl carbamate
CID 83215440
3-amino-N-but-3-yn-2-yl-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide
CID 114420593
3-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 114759397
3-amino-6-methyl-N-[(2-methylcyclopentyl)methyl]thieno[2,3-b]pyridine-2-carboxamide
CID 107421057
3-amino-6-(4-methylphenyl)thieno[2,3-b]pyridine-2-carbohydrazide
CID 53270913
3-amino-N-(3-chloro-4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 23774841
propan-2-yl 2-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate
CID 23803913

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-but-3-yn-2-yl-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-but-3-yn-2-yl-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 114420605) is 3-amino-N-but-3-yn-2-yl-6-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-but-3-yn-2-yl-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-but-3-yn-2-yl-6-methylthieno[2,3-b]pyridine-2-carboxamide is C#CC(C)NC(=O)c1sc2nc(C)ccc2c1N.
What is the InChIKey of 3-amino-N-but-3-yn-2-yl-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is OWIISDDHZWETEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-4-7(2)15-12(17)11-10(14)9-6-5-8(3)16-13(9)18-11/h1,5-7H,14H2,2-3H3,(H,15,17).
What are the key properties of 3-amino-N-but-3-yn-2-yl-6-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-but-3-yn-2-yl-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 259.33 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-but-3-yn-2-yl-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 114420605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).