3-amino-4,6-dimethyl-N-(2-methylbutyl)thieno[3,2-c]pyridine-2-carboxamide

C15H21N3OS — CID 81052861

IUPAC3-amino-4,6-dimethyl-N-(2-methylbutyl)thieno[3,2-c]pyridine-2-carboxamide
SMILESCCC(C)CNC(=O)c1sc2cc(C)nc(C)c2c1N
InChIInChI=1S/C15H21N3OS/c1-5-8(2)7-17-15(19)14-13(16)12-10(4)18-9(3)6-11(12)20-14/h6,8H,5,7,16H2,1-4H3,(H,17,19)
InChIKeyXRMHVKYGFIPZFK-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.27
Rot. Bonds4

About 3-amino-4,6-dimethyl-N-(2-methylbutyl)thieno[3,2-c]pyridine-2-carboxamide

3-amino-4,6-dimethyl-N-(2-methylbutyl)thieno[3,2-c]pyridine-2-carboxamide (PubChem CID 81052861) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 3-amino-4,6-dimethyl-N-(2-methylbutyl)thieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4,6-dimethyl-N-(2-methylbutyl)thieno[3,2-c]pyridine-2-carboxamide
PubChem CID81052861
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name3-amino-4,6-dimethyl-N-(2-methylbutyl)thieno[3,2-c]pyridine-2-carboxamide
SMILESCCC(C)CNC(=O)c1sc2cc(C)nc(C)c2c1N
InChIInChI=1S/C15H21N3OS/c1-5-8(2)7-17-15(19)14-13(16)12-10(4)18-9(3)6-11(12)20-14/h6,8H,5,7,16H2,1-4H3,(H,17,19)
InChIKeyXRMHVKYGFIPZFK-UHFFFAOYSA-N
XLogP3.27
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4,6-dimethyl-N-(2-methylbutyl)thieno[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4,6-dimethyl-N-(2-methylbutyl)thieno[3,2-c]pyridine-2-carboxamide (CID 81052861) is 3-amino-4,6-dimethyl-N-(2-methylbutyl)thieno[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4,6-dimethyl-N-(2-methylbutyl)thieno[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4,6-dimethyl-N-(2-methylbutyl)thieno[3,2-c]pyridine-2-carboxamide is CCC(C)CNC(=O)c1sc2cc(C)nc(C)c2c1N.
What is the InChIKey of 3-amino-4,6-dimethyl-N-(2-methylbutyl)thieno[3,2-c]pyridine-2-carboxamide?
The InChIKey is XRMHVKYGFIPZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-5-8(2)7-17-15(19)14-13(16)12-10(4)18-9(3)6-11(12)20-14/h6,8H,5,7,16H2,1-4H3,(H,17,19).
What are the key properties of 3-amino-4,6-dimethyl-N-(2-methylbutyl)thieno[3,2-c]pyridine-2-carboxamide?
3-amino-4,6-dimethyl-N-(2-methylbutyl)thieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 291.42 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,6-dimethyl-N-(2-methylbutyl)thieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 81052861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).