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

C13H18N4OS — CID 114289424

IUPAC3-amino-N-methyl-N-[3-(methylamino)propyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESCNCCCN(C)C(=O)c1sc2cnccc2c1N
InChIInChI=1S/C13H18N4OS/c1-15-5-3-7-17(2)13(18)12-11(14)9-4-6-16-8-10(9)19-12/h4,6,8,15H,3,5,7,14H2,1-2H3
InChIKeyIUKCVPJLCMIXBQ-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.56
Rot. Bonds5

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

3-amino-N-methyl-N-[3-(methylamino)propyl]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 114289424) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 3-amino-N-methyl-N-[3-(methylamino)propyl]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-[3-(methylamino)propyl]thieno[2,3-c]pyridine-2-carboxamide
PubChem CID114289424
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name3-amino-N-methyl-N-[3-(methylamino)propyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESCNCCCN(C)C(=O)c1sc2cnccc2c1N
InChIInChI=1S/C13H18N4OS/c1-15-5-3-7-17(2)13(18)12-11(14)9-4-6-16-8-10(9)19-12/h4,6,8,15H,3,5,7,14H2,1-2H3
InChIKeyIUKCVPJLCMIXBQ-UHFFFAOYSA-N
XLogP1.56
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(5-hydroxypentyl)-N-methylthieno[2,3-c]pyridine-2-carboxamide
CID 107207347
3-amino-N-[3-(dimethylamino)propyl]-N-methylthieno[2,3-c]pyridine-2-carboxamide
CID 114289351
3-amino-N-methyl-N-pentan-3-ylthieno[2,3-c]pyridine-2-carboxamide
CID 114289192
3-amino-N',N'-dimethylthieno[2,3-c]pyridine-2-carbohydrazide
CID 83024926
3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]thieno[2,3-c]pyridine-2-carboxamide
CID 114289239
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-(2-hydroxyethoxy)propyl]thieno[2,3-c]pyridine-2-carboxamide
CID 106311389
3-amino-N-(2-methylprop-2-enyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114619385
3-amino-N-[(E)-pent-3-enyl]thieno[2,3-c]pyridine-2-carboxamide
CID 113466186
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

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-[3-(methylamino)propyl]thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-methyl-N-[3-(methylamino)propyl]thieno[2,3-c]pyridine-2-carboxamide (CID 114289424) is 3-amino-N-methyl-N-[3-(methylamino)propyl]thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-N-[3-(methylamino)propyl]thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-methyl-N-[3-(methylamino)propyl]thieno[2,3-c]pyridine-2-carboxamide is CNCCCN(C)C(=O)c1sc2cnccc2c1N.
What is the InChIKey of 3-amino-N-methyl-N-[3-(methylamino)propyl]thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is IUKCVPJLCMIXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-15-5-3-7-17(2)13(18)12-11(14)9-4-6-16-8-10(9)19-12/h4,6,8,15H,3,5,7,14H2,1-2H3.
What are the key properties of 3-amino-N-methyl-N-[3-(methylamino)propyl]thieno[2,3-c]pyridine-2-carboxamide?
3-amino-N-methyl-N-[3-(methylamino)propyl]thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-[3-(methylamino)propyl]thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 114289424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).