3-amino-N-(2-hydroxy-3-methoxypropyl)thieno[2,3-c]pyridine-2-carboxamide

C12H15N3O3S — CID 114289374

IUPAC3-amino-N-(2-hydroxy-3-methoxypropyl)thieno[2,3-c]pyridine-2-carboxamide
SMILESCOCC(O)CNC(=O)c1sc2cnccc2c1N
InChIInChI=1S/C12H15N3O3S/c1-18-6-7(16)4-15-12(17)11-10(13)8-2-3-14-5-9(8)19-11/h2-3,5,7,16H,4,6,13H2,1H3,(H,15,17)
InChIKeyCNDZAHHBYMDYEI-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.62
Rot. Bonds5

About 3-amino-N-(2-hydroxy-3-methoxypropyl)thieno[2,3-c]pyridine-2-carboxamide

3-amino-N-(2-hydroxy-3-methoxypropyl)thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 114289374) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 3-amino-N-(2-hydroxy-3-methoxypropyl)thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-hydroxy-3-methoxypropyl)thieno[2,3-c]pyridine-2-carboxamide
PubChem CID114289374
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name3-amino-N-(2-hydroxy-3-methoxypropyl)thieno[2,3-c]pyridine-2-carboxamide
SMILESCOCC(O)CNC(=O)c1sc2cnccc2c1N
InChIInChI=1S/C12H15N3O3S/c1-18-6-7(16)4-15-12(17)11-10(13)8-2-3-14-5-9(8)19-11/h2-3,5,7,16H,4,6,13H2,1H3,(H,15,17)
InChIKeyCNDZAHHBYMDYEI-UHFFFAOYSA-N
XLogP0.62
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-(3-methoxy-2-methylpropyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114289302
3-amino-N-(3-methylbutyl)thieno[2,3-c]pyridine-2-carboxamide
CID 113269830
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-tert-butylthieno[2,3-c]pyridine-2-carboxamide
CID 113269822
3-amino-N-[3-(2-hydroxyethoxy)propyl]thieno[2,3-c]pyridine-2-carboxamide
CID 106311389
3-amino-N-(3-methylpentan-3-yl)thieno[2,3-c]pyridine-2-carboxamide
CID 106331585
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
propan-2-yl 3-aminothieno[2,3-c]pyridine-2-carboxylate
CID 69161368
3-amino-N',N'-dimethylthieno[2,3-c]pyridine-2-carbohydrazide
CID 83024926

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-hydroxy-3-methoxypropyl)thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(2-hydroxy-3-methoxypropyl)thieno[2,3-c]pyridine-2-carboxamide (CID 114289374) is 3-amino-N-(2-hydroxy-3-methoxypropyl)thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-hydroxy-3-methoxypropyl)thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-hydroxy-3-methoxypropyl)thieno[2,3-c]pyridine-2-carboxamide is COCC(O)CNC(=O)c1sc2cnccc2c1N.
What is the InChIKey of 3-amino-N-(2-hydroxy-3-methoxypropyl)thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is CNDZAHHBYMDYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-18-6-7(16)4-15-12(17)11-10(13)8-2-3-14-5-9(8)19-11/h2-3,5,7,16H,4,6,13H2,1H3,(H,15,17).
What are the key properties of 3-amino-N-(2-hydroxy-3-methoxypropyl)thieno[2,3-c]pyridine-2-carboxamide?
3-amino-N-(2-hydroxy-3-methoxypropyl)thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 281.34 g/mol, XLogP of 0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-hydroxy-3-methoxypropyl)thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 114289374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).