3-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-methylthieno[2,3-b]pyridine-2-carboxamide

C14H18N4O2S — CID 106098617

IUPAC3-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccnc2sc(C(=O)NC(C)(C)CC(N)=O)c(N)c12
InChIInChI=1S/C14H18N4O2S/c1-7-4-5-17-13-9(7)10(16)11(21-13)12(20)18-14(2,3)6-8(15)19/h4-5H,6,16H2,1-3H3,(H2,15,19)(H,18,20)
InChIKeyJDHLENRHKBWLCW-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.57
Rot. Bonds4

About 3-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 106098617) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID106098617
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name3-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccnc2sc(C(=O)NC(C)(C)CC(N)=O)c(N)c12
InChIInChI=1S/C14H18N4O2S/c1-7-4-5-17-13-9(7)10(16)11(21-13)12(20)18-14(2,3)6-8(15)19/h4-5H,6,16H2,1-3H3,(H2,15,19)(H,18,20)
InChIKeyJDHLENRHKBWLCW-UHFFFAOYSA-N
XLogP1.57
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-methylthieno[2,3-b]pyridine-2-carboxamide with MolForge

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Related Compounds

3-amino-N-(3-hydroxy-2,2-dimethylpropyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide
CID 115366285
1-(3-amino-4-methylthieno[2,3-b]pyridin-2-yl)ethanone
CID 82395893
3-amino-4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 106433622
3-amino-N-(3,4-dimethylphenyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide
CID 171133101
3-amino-4-methyl-N-(5-methylhexyl)thieno[2,3-b]pyridine-2-carboxamide
CID 115327426
4-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 106098142
3-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)pyridine-2-carboxamide
CID 106096469
4-acetamido-3-aminothieno[2,3-b]pyridine-2-carboxamide
CID 90436738
1-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)isoquinoline-4-carboxamide
CID 106098409
5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-methylpyridine-3-carboxamide
CID 106095327
3-amino-N-(4-hydroxy-2-methylbutan-2-yl)-7-methyl-1-benzothiophene-2-carboxamide
CID 107113658
3-amino-N-[4-[(2,4-dimethoxy-5-methylphenyl)sulfamoyl]phenyl]-4-methylthieno[2,3-b]pyridine-2-carboxamide
CID 171133107

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-methylthieno[2,3-b]pyridine-2-carboxamide (CID 106098617) is 3-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-methylthieno[2,3-b]pyridine-2-carboxamide is Cc1ccnc2sc(C(=O)NC(C)(C)CC(N)=O)c(N)c12.
What is the InChIKey of 3-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is JDHLENRHKBWLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-7-4-5-17-13-9(7)10(16)11(21-13)12(20)18-14(2,3)6-8(15)19/h4-5H,6,16H2,1-3H3,(H2,15,19)(H,18,20).
What are the key properties of 3-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 1.57, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 106098617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).