3-amino-N-[3-(2-hydroxyethoxy)propyl]thieno[2,3-c]pyridine-2-carboxamide

C13H17N3O3S — CID 106311389

IUPAC3-amino-N-[3-(2-hydroxyethoxy)propyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESNc1c(C(=O)NCCCOCCO)sc2cnccc12
InChIInChI=1S/C13H17N3O3S/c14-11-9-2-4-15-8-10(9)20-12(11)13(18)16-3-1-6-19-7-5-17/h2,4,8,17H,1,3,5-7,14H2,(H,16,18)
InChIKeyOWHRYFLIDMELCI-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.01
Rot. Bonds7

About 3-amino-N-[3-(2-hydroxyethoxy)propyl]thieno[2,3-c]pyridine-2-carboxamide

3-amino-N-[3-(2-hydroxyethoxy)propyl]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 106311389) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 3-amino-N-[3-(2-hydroxyethoxy)propyl]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(2-hydroxyethoxy)propyl]thieno[2,3-c]pyridine-2-carboxamide
PubChem CID106311389
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name3-amino-N-[3-(2-hydroxyethoxy)propyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESNc1c(C(=O)NCCCOCCO)sc2cnccc12
InChIInChI=1S/C13H17N3O3S/c14-11-9-2-4-15-8-10(9)20-12(11)13(18)16-3-1-6-19-7-5-17/h2,4,8,17H,1,3,5-7,14H2,(H,16,18)
InChIKeyOWHRYFLIDMELCI-UHFFFAOYSA-N
XLogP1.01
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(3-propoxypropyl)thieno[2,3-c]pyridine-2-carboxamide
CID 82947525
5-amino-N-[3-(2-hydroxyethoxy)propyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 106311385
3-amino-N-(2-but-3-enoxyethyl)thieno[2,3-c]pyridine-2-carboxamide
CID 106410277
3-amino-N-[3-(2-hydroxyethoxy)propyl]-6-methyl-1-benzothiophene-2-carboxamide
CID 106311382
3-amino-N-(3-sulfamoylpropyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114289295
3-amino-N-(5-hydroxy-4-methylpentyl)thieno[2,3-c]pyridine-2-carboxamide
CID 106162924
3-amino-N-(3-methylbutyl)thieno[2,3-c]pyridine-2-carboxamide
CID 113269830
3-amino-N-[(E)-pent-3-enyl]thieno[2,3-c]pyridine-2-carboxamide
CID 113466186
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-(oxan-4-ylmethyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114289352
3-amino-N-(3-methoxy-2-methylpropyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114289302

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(2-hydroxyethoxy)propyl]thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[3-(2-hydroxyethoxy)propyl]thieno[2,3-c]pyridine-2-carboxamide (CID 106311389) is 3-amino-N-[3-(2-hydroxyethoxy)propyl]thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(2-hydroxyethoxy)propyl]thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-(2-hydroxyethoxy)propyl]thieno[2,3-c]pyridine-2-carboxamide is Nc1c(C(=O)NCCCOCCO)sc2cnccc12.
What is the InChIKey of 3-amino-N-[3-(2-hydroxyethoxy)propyl]thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is OWHRYFLIDMELCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c14-11-9-2-4-15-8-10(9)20-12(11)13(18)16-3-1-6-19-7-5-17/h2,4,8,17H,1,3,5-7,14H2,(H,16,18).
What are the key properties of 3-amino-N-[3-(2-hydroxyethoxy)propyl]thieno[2,3-c]pyridine-2-carboxamide?
3-amino-N-[3-(2-hydroxyethoxy)propyl]thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 295.36 g/mol, XLogP of 1.01, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(2-hydroxyethoxy)propyl]thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 106311389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).