3-amino-4-methyl-N-(5-methylhexyl)thieno[2,3-b]pyridine-2-carboxamide

C16H23N3OS — CID 115327426

IUPAC3-amino-4-methyl-N-(5-methylhexyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccnc2sc(C(=O)NCCCCC(C)C)c(N)c12
InChIInChI=1S/C16H23N3OS/c1-10(2)6-4-5-8-18-15(20)14-13(17)12-11(3)7-9-19-16(12)21-14/h7,9-10H,4-6,8,17H2,1-3H3,(H,18,20)
InChIKeyGVZSXYOAYCWCHE-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.74
Rot. Bonds6

About 3-amino-4-methyl-N-(5-methylhexyl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-4-methyl-N-(5-methylhexyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 115327426) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 3-amino-4-methyl-N-(5-methylhexyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-methyl-N-(5-methylhexyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID115327426
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name3-amino-4-methyl-N-(5-methylhexyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccnc2sc(C(=O)NCCCCC(C)C)c(N)c12
InChIInChI=1S/C16H23N3OS/c1-10(2)6-4-5-8-18-15(20)14-13(17)12-11(3)7-9-19-16(12)21-14/h7,9-10H,4-6,8,17H2,1-3H3,(H,18,20)
InChIKeyGVZSXYOAYCWCHE-UHFFFAOYSA-N
XLogP3.74
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 106433622
1-(3-amino-4-methylthieno[2,3-b]pyridin-2-yl)ethanone
CID 82395893
3-amino-N-(3-hydroxy-2,2-dimethylpropyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide
CID 115366285
3-amino-N-(3,4-dimethylphenyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide
CID 171133101
3-amino-N-(5-methylhexyl)thiophene-2-carboxamide
CID 115324411
3-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-methylthieno[2,3-b]pyridine-2-carboxamide
CID 106098617
7-amino-N-(4-hydroxypentyl)thieno[2,3-b]pyrazine-6-carboxamide
CID 106137855
3-amino-N-(3-methylbutyl)thieno[2,3-c]pyridine-2-carboxamide
CID 113269830
3-amino-N-(2-hydroxyethyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 14510410
5-amino-2-methyl-N-(5-methylhexyl)pyridine-3-carboxamide
CID 115324400
7-amino-N-(5-hydroxypentyl)thieno[2,3-b]pyrazine-6-carboxamide
CID 107323855
3-amino-4,6-dimethyl-N-(2-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 707443

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-N-(5-methylhexyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4-methyl-N-(5-methylhexyl)thieno[2,3-b]pyridine-2-carboxamide (CID 115327426) is 3-amino-4-methyl-N-(5-methylhexyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4-methyl-N-(5-methylhexyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4-methyl-N-(5-methylhexyl)thieno[2,3-b]pyridine-2-carboxamide is Cc1ccnc2sc(C(=O)NCCCCC(C)C)c(N)c12.
What is the InChIKey of 3-amino-4-methyl-N-(5-methylhexyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is GVZSXYOAYCWCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-10(2)6-4-5-8-18-15(20)14-13(17)12-11(3)7-9-19-16(12)21-14/h7,9-10H,4-6,8,17H2,1-3H3,(H,18,20).
What are the key properties of 3-amino-4-methyl-N-(5-methylhexyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-4-methyl-N-(5-methylhexyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 305.45 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-N-(5-methylhexyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 115327426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).