3-amino-N-(3-hydroxy-2,2-dimethylpropyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide

C14H19N3O2S — CID 115366285

IUPAC3-amino-N-(3-hydroxy-2,2-dimethylpropyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccnc2sc(C(=O)NCC(C)(C)CO)c(N)c12
InChIInChI=1S/C14H19N3O2S/c1-8-4-5-16-13-9(8)10(15)11(20-13)12(19)17-6-14(2,3)7-18/h4-5,18H,6-7,15H2,1-3H3,(H,17,19)
InChIKeyFVZRTLFBEBIHQW-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.94
Rot. Bonds4

About 3-amino-N-(3-hydroxy-2,2-dimethylpropyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(3-hydroxy-2,2-dimethylpropyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 115366285) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 3-amino-N-(3-hydroxy-2,2-dimethylpropyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-hydroxy-2,2-dimethylpropyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID115366285
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name3-amino-N-(3-hydroxy-2,2-dimethylpropyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccnc2sc(C(=O)NCC(C)(C)CO)c(N)c12
InChIInChI=1S/C14H19N3O2S/c1-8-4-5-16-13-9(8)10(15)11(20-13)12(19)17-6-14(2,3)7-18/h4-5,18H,6-7,15H2,1-3H3,(H,17,19)
InChIKeyFVZRTLFBEBIHQW-UHFFFAOYSA-N
XLogP1.94
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-amino-4-methylthieno[2,3-b]pyridin-2-yl)ethanone
CID 82395893
3-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-methylthieno[2,3-b]pyridine-2-carboxamide
CID 106098617
3-amino-4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 106433622
5-amino-N-(3-hydroxy-2,2-dimethylpropyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 115366292
3-amino-4-methyl-N-(5-methylhexyl)thieno[2,3-b]pyridine-2-carboxamide
CID 115327426
3-amino-N-(3,4-dimethylphenyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide
CID 171133101
3-amino-5-chloro-N-(3-hydroxy-2,2-dimethylpropyl)-1-benzothiophene-2-carboxamide
CID 115366289
3-amino-N-(4-hydroxy-2,2-dimethylbutyl)thieno[3,2-b]pyridine-2-carboxamide
CID 106149666
3-amino-N-(2-hydroxyethyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 14510410
3-amino-N-benzyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 734373
3-amino-N-(2,2-difluoro-3-hydroxypropyl)thieno[2,3-c]pyridine-2-carboxamide
CID 106174325
(3-amino-4-methylthieno[2,3-b]pyridin-2-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114683837

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-hydroxy-2,2-dimethylpropyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(3-hydroxy-2,2-dimethylpropyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide (CID 115366285) is 3-amino-N-(3-hydroxy-2,2-dimethylpropyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(3-hydroxy-2,2-dimethylpropyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(3-hydroxy-2,2-dimethylpropyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide is Cc1ccnc2sc(C(=O)NCC(C)(C)CO)c(N)c12.
What is the InChIKey of 3-amino-N-(3-hydroxy-2,2-dimethylpropyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is FVZRTLFBEBIHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-8-4-5-16-13-9(8)10(15)11(20-13)12(19)17-6-14(2,3)7-18/h4-5,18H,6-7,15H2,1-3H3,(H,17,19).
What are the key properties of 3-amino-N-(3-hydroxy-2,2-dimethylpropyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(3-hydroxy-2,2-dimethylpropyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 293.39 g/mol, XLogP of 1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-hydroxy-2,2-dimethylpropyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 115366285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).