3-amino-N-(3-methoxy-2-methylpropyl)thieno[2,3-c]pyridine-2-carboxamide

C13H17N3O2S — CID 114289302

IUPAC3-amino-N-(3-methoxy-2-methylpropyl)thieno[2,3-c]pyridine-2-carboxamide
SMILESCOCC(C)CNC(=O)c1sc2cnccc2c1N
InChIInChI=1S/C13H17N3O2S/c1-8(7-18-2)5-16-13(17)12-11(14)9-3-4-15-6-10(9)19-12/h3-4,6,8H,5,7,14H2,1-2H3,(H,16,17)
InChIKeyWHFSIRYHEUVPOF-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.89
Rot. Bonds5

About 3-amino-N-(3-methoxy-2-methylpropyl)thieno[2,3-c]pyridine-2-carboxamide

3-amino-N-(3-methoxy-2-methylpropyl)thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 114289302) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 3-amino-N-(3-methoxy-2-methylpropyl)thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-methoxy-2-methylpropyl)thieno[2,3-c]pyridine-2-carboxamide
PubChem CID114289302
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name3-amino-N-(3-methoxy-2-methylpropyl)thieno[2,3-c]pyridine-2-carboxamide
SMILESCOCC(C)CNC(=O)c1sc2cnccc2c1N
InChIInChI=1S/C13H17N3O2S/c1-8(7-18-2)5-16-13(17)12-11(14)9-3-4-15-6-10(9)19-12/h3-4,6,8H,5,7,14H2,1-2H3,(H,16,17)
InChIKeyWHFSIRYHEUVPOF-UHFFFAOYSA-N
XLogP1.89
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(2-hydroxy-3-methoxypropyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114289374
3-amino-6-methoxy-N-(3-methoxy-2-methylpropyl)-1-benzothiophene-2-carboxamide
CID 81301548
3-amino-N-(3-methylbutyl)thieno[2,3-c]pyridine-2-carboxamide
CID 113269830
3-amino-N-(5-hydroxy-4-methylpentyl)thieno[2,3-c]pyridine-2-carboxamide
CID 106162924
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
propan-2-yl 3-aminothieno[2,3-c]pyridine-2-carboxylate
CID 69161368
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

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-methoxy-2-methylpropyl)thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(3-methoxy-2-methylpropyl)thieno[2,3-c]pyridine-2-carboxamide (CID 114289302) is 3-amino-N-(3-methoxy-2-methylpropyl)thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(3-methoxy-2-methylpropyl)thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(3-methoxy-2-methylpropyl)thieno[2,3-c]pyridine-2-carboxamide is COCC(C)CNC(=O)c1sc2cnccc2c1N.
What is the InChIKey of 3-amino-N-(3-methoxy-2-methylpropyl)thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is WHFSIRYHEUVPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-8(7-18-2)5-16-13(17)12-11(14)9-3-4-15-6-10(9)19-12/h3-4,6,8H,5,7,14H2,1-2H3,(H,16,17).
What are the key properties of 3-amino-N-(3-methoxy-2-methylpropyl)thieno[2,3-c]pyridine-2-carboxamide?
3-amino-N-(3-methoxy-2-methylpropyl)thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 279.37 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-methoxy-2-methylpropyl)thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 114289302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).