3-amino-N-hex-1-yn-3-ylthieno[2,3-c]pyridine-2-carboxamide

C14H15N3OS — CID 106233064

IUPAC3-amino-N-hex-1-yn-3-ylthieno[2,3-c]pyridine-2-carboxamide
SMILESC#CC(CCC)NC(=O)c1sc2cnccc2c1N
InChIInChI=1S/C14H15N3OS/c1-3-5-9(4-2)17-14(18)13-12(15)10-6-7-16-8-11(10)19-13/h2,6-9H,3,5,15H2,1H3,(H,17,18)
InChIKeyXKEMUTUAGMXGQG-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.41
Rot. Bonds4

About 3-amino-N-hex-1-yn-3-ylthieno[2,3-c]pyridine-2-carboxamide

3-amino-N-hex-1-yn-3-ylthieno[2,3-c]pyridine-2-carboxamide (PubChem CID 106233064) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 3-amino-N-hex-1-yn-3-ylthieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-hex-1-yn-3-ylthieno[2,3-c]pyridine-2-carboxamide
PubChem CID106233064
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name3-amino-N-hex-1-yn-3-ylthieno[2,3-c]pyridine-2-carboxamide
SMILESC#CC(CCC)NC(=O)c1sc2cnccc2c1N
InChIInChI=1S/C14H15N3OS/c1-3-5-9(4-2)17-14(18)13-12(15)10-6-7-16-8-11(10)19-13/h2,6-9H,3,5,15H2,1H3,(H,17,18)
InChIKeyXKEMUTUAGMXGQG-UHFFFAOYSA-N
XLogP2.41
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-N-hex-1-yn-3-ylthieno[2,3-c]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-5-fluoro-N-hex-1-yn-3-yl-1-benzothiophene-2-carboxamide
CID 106233062
3-amino-N-(3-methylbutyl)thieno[2,3-c]pyridine-2-carboxamide
CID 113269830
1-(3-aminothieno[2,3-c]pyridin-2-yl)butan-1-one
CID 58826843
3-amino-N-(3-methylpentan-3-yl)thieno[2,3-c]pyridine-2-carboxamide
CID 106331585
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-[1-(furan-2-yl)ethyl]thieno[2,3-c]pyridine-2-carboxamide
CID 114289175
3-amino-N-(2-methylprop-2-enyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114619385
3-amino-N-(3-propoxypropyl)thieno[2,3-c]pyridine-2-carboxamide
CID 82947525
3-amino-N-(5-hydroxy-4-methylpentyl)thieno[2,3-c]pyridine-2-carboxamide
CID 106162924
3-amino-N-(2-prop-2-ynylsulfanylethyl)thieno[2,3-c]pyridine-2-carboxamide
CID 106433595
propan-2-yl 3-aminothieno[2,3-c]pyridine-2-carboxylate
CID 69161368

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-hex-1-yn-3-ylthieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-hex-1-yn-3-ylthieno[2,3-c]pyridine-2-carboxamide (CID 106233064) is 3-amino-N-hex-1-yn-3-ylthieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-hex-1-yn-3-ylthieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-hex-1-yn-3-ylthieno[2,3-c]pyridine-2-carboxamide is C#CC(CCC)NC(=O)c1sc2cnccc2c1N.
What is the InChIKey of 3-amino-N-hex-1-yn-3-ylthieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is XKEMUTUAGMXGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-3-5-9(4-2)17-14(18)13-12(15)10-6-7-16-8-11(10)19-13/h2,6-9H,3,5,15H2,1H3,(H,17,18).
What are the key properties of 3-amino-N-hex-1-yn-3-ylthieno[2,3-c]pyridine-2-carboxamide?
3-amino-N-hex-1-yn-3-ylthieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 273.36 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-hex-1-yn-3-ylthieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 106233064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).