3-amino-N-(2-but-3-enoxyethyl)thieno[2,3-c]pyridine-2-carboxamide

C14H17N3O2S — CID 106410277

IUPAC3-amino-N-(2-but-3-enoxyethyl)thieno[2,3-c]pyridine-2-carboxamide
SMILESC=CCCOCCNC(=O)c1sc2cnccc2c1N
InChIInChI=1S/C14H17N3O2S/c1-2-3-7-19-8-6-17-14(18)13-12(15)10-4-5-16-9-11(10)20-13/h2,4-5,9H,1,3,6-8,15H2,(H,17,18)
InChIKeyFTIZZLUTXHWWNM-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.20
Rot. Bonds7

About 3-amino-N-(2-but-3-enoxyethyl)thieno[2,3-c]pyridine-2-carboxamide

3-amino-N-(2-but-3-enoxyethyl)thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 106410277) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 3-amino-N-(2-but-3-enoxyethyl)thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-but-3-enoxyethyl)thieno[2,3-c]pyridine-2-carboxamide
PubChem CID106410277
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name3-amino-N-(2-but-3-enoxyethyl)thieno[2,3-c]pyridine-2-carboxamide
SMILESC=CCCOCCNC(=O)c1sc2cnccc2c1N
InChIInChI=1S/C14H17N3O2S/c1-2-3-7-19-8-6-17-14(18)13-12(15)10-4-5-16-9-11(10)20-13/h2,4-5,9H,1,3,6-8,15H2,(H,17,18)
InChIKeyFTIZZLUTXHWWNM-UHFFFAOYSA-N
XLogP2.20
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[3-(2-hydroxyethoxy)propyl]thieno[2,3-c]pyridine-2-carboxamide
CID 106311389
3-amino-N-(3-propoxypropyl)thieno[2,3-c]pyridine-2-carboxamide
CID 82947525
3-amino-N-(2-but-3-enoxyethyl)-5-chloro-1-benzothiophene-2-carboxamide
CID 106410285
3-amino-N-[(E)-pent-3-enyl]thieno[2,3-c]pyridine-2-carboxamide
CID 113466186
3-amino-N-(2-methylprop-2-enyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114619385
3-amino-N-(3-methylbutyl)thieno[2,3-c]pyridine-2-carboxamide
CID 113269830
3-amino-N-(2-thiophen-2-ylethyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114289113
3-amino-N-(3-sulfamoylpropyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114289295
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-(pyridin-3-ylmethyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114289134
3-amino-N-(2-prop-2-ynylsulfanylethyl)thieno[2,3-c]pyridine-2-carboxamide
CID 106433595

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-but-3-enoxyethyl)thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(2-but-3-enoxyethyl)thieno[2,3-c]pyridine-2-carboxamide (CID 106410277) is 3-amino-N-(2-but-3-enoxyethyl)thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-but-3-enoxyethyl)thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-but-3-enoxyethyl)thieno[2,3-c]pyridine-2-carboxamide is C=CCCOCCNC(=O)c1sc2cnccc2c1N.
What is the InChIKey of 3-amino-N-(2-but-3-enoxyethyl)thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is FTIZZLUTXHWWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-2-3-7-19-8-6-17-14(18)13-12(15)10-4-5-16-9-11(10)20-13/h2,4-5,9H,1,3,6-8,15H2,(H,17,18).
What are the key properties of 3-amino-N-(2-but-3-enoxyethyl)thieno[2,3-c]pyridine-2-carboxamide?
3-amino-N-(2-but-3-enoxyethyl)thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-but-3-enoxyethyl)thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 106410277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).