3-amino-6-methyl-N-[(2-methylcyclopentyl)methyl]thieno[2,3-b]pyridine-2-carboxamide

C16H21N3OS — CID 107421057

IUPAC3-amino-6-methyl-N-[(2-methylcyclopentyl)methyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)NCC3CCCC3C)sc2n1
InChIInChI=1S/C16H21N3OS/c1-9-4-3-5-11(9)8-18-15(20)14-13(17)12-7-6-10(2)19-16(12)21-14/h6-7,9,11H,3-5,8,17H2,1-2H3,(H,18,20)
InChIKeyCJHJXEXSXJVXQT-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.35
Rot. Bonds3

About 3-amino-6-methyl-N-[(2-methylcyclopentyl)methyl]thieno[2,3-b]pyridine-2-carboxamide

3-amino-6-methyl-N-[(2-methylcyclopentyl)methyl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 107421057) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 3-amino-6-methyl-N-[(2-methylcyclopentyl)methyl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-methyl-N-[(2-methylcyclopentyl)methyl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID107421057
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name3-amino-6-methyl-N-[(2-methylcyclopentyl)methyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)NCC3CCCC3C)sc2n1
InChIInChI=1S/C16H21N3OS/c1-9-4-3-5-11(9)8-18-15(20)14-13(17)12-7-6-10(2)19-16(12)21-14/h6-7,9,11H,3-5,8,17H2,1-2H3,(H,18,20)
InChIKeyCJHJXEXSXJVXQT-UHFFFAOYSA-N
XLogP3.35
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-N-[(2-methylcyclopentyl)methyl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-methyl-N-[(2-methylcyclopentyl)methyl]thieno[2,3-b]pyridine-2-carboxamide (CID 107421057) is 3-amino-6-methyl-N-[(2-methylcyclopentyl)methyl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-methyl-N-[(2-methylcyclopentyl)methyl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-methyl-N-[(2-methylcyclopentyl)methyl]thieno[2,3-b]pyridine-2-carboxamide is Cc1ccc2c(N)c(C(=O)NCC3CCCC3C)sc2n1.
What is the InChIKey of 3-amino-6-methyl-N-[(2-methylcyclopentyl)methyl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is CJHJXEXSXJVXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-9-4-3-5-11(9)8-18-15(20)14-13(17)12-7-6-10(2)19-16(12)21-14/h6-7,9,11H,3-5,8,17H2,1-2H3,(H,18,20).
What are the key properties of 3-amino-6-methyl-N-[(2-methylcyclopentyl)methyl]thieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-methyl-N-[(2-methylcyclopentyl)methyl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 303.43 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methyl-N-[(2-methylcyclopentyl)methyl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 107421057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).