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

C13H17N3OS — CID 113269830

IUPAC3-amino-N-(3-methylbutyl)thieno[2,3-c]pyridine-2-carboxamide
SMILESCC(C)CCNC(=O)c1sc2cnccc2c1N
InChIInChI=1S/C13H17N3OS/c1-8(2)3-6-16-13(17)12-11(14)9-4-5-15-7-10(9)18-12/h4-5,7-8H,3,6,14H2,1-2H3,(H,16,17)
InChIKeyZKXYULBFQPSVCN-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.65
Rot. Bonds4

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

3-amino-N-(3-methylbutyl)thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 113269830) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 3-amino-N-(3-methylbutyl)thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-methylbutyl)thieno[2,3-c]pyridine-2-carboxamide
PubChem CID113269830
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name3-amino-N-(3-methylbutyl)thieno[2,3-c]pyridine-2-carboxamide
SMILESCC(C)CCNC(=O)c1sc2cnccc2c1N
InChIInChI=1S/C13H17N3OS/c1-8(2)3-6-16-13(17)12-11(14)9-4-5-15-7-10(9)18-12/h4-5,7-8H,3,6,14H2,1-2H3,(H,16,17)
InChIKeyZKXYULBFQPSVCN-UHFFFAOYSA-N
XLogP2.65
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(5-hydroxy-4-methylpentyl)thieno[2,3-c]pyridine-2-carboxamide
CID 106162924
3-amino-N-[(E)-pent-3-enyl]thieno[2,3-c]pyridine-2-carboxamide
CID 113466186
3-amino-N-(3-methoxy-2-methylpropyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114289302
3-amino-N-(2-methylprop-2-enyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114619385
3-amino-N-(3-sulfamoylpropyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114289295
3-amino-N-(3-propoxypropyl)thieno[2,3-c]pyridine-2-carboxamide
CID 82947525
3-amino-N-(2-thiophen-2-ylethyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114289113
3-amino-N-(2-hydroxy-3-methoxypropyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114289374
3-amino-N-[3-(2-hydroxyethoxy)propyl]thieno[2,3-c]pyridine-2-carboxamide
CID 106311389
3-amino-5-methyl-N-(3-methylbutyl)-1-benzothiophene-2-carboxamide
CID 107932105
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-(3-methylbutyl)thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(3-methylbutyl)thieno[2,3-c]pyridine-2-carboxamide (CID 113269830) is 3-amino-N-(3-methylbutyl)thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(3-methylbutyl)thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(3-methylbutyl)thieno[2,3-c]pyridine-2-carboxamide is CC(C)CCNC(=O)c1sc2cnccc2c1N.
What is the InChIKey of 3-amino-N-(3-methylbutyl)thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is ZKXYULBFQPSVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-8(2)3-6-16-13(17)12-11(14)9-4-5-15-7-10(9)18-12/h4-5,7-8H,3,6,14H2,1-2H3,(H,16,17).
What are the key properties of 3-amino-N-(3-methylbutyl)thieno[2,3-c]pyridine-2-carboxamide?
3-amino-N-(3-methylbutyl)thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 263.37 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-methylbutyl)thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 113269830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).