3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]thieno[2,3-c]pyridine-2-carboxamide

C13H16N4O2S — CID 114289239

IUPAC3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESCCN(CC(=O)NC)C(=O)c1sc2cnccc2c1N
InChIInChI=1S/C13H16N4O2S/c1-3-17(7-10(18)15-2)13(19)12-11(14)8-4-5-16-6-9(8)20-12/h4-6H,3,7,14H2,1-2H3,(H,15,18)
InChIKeySADOULCXMUICFE-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.09
Rot. Bonds4

About 3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]thieno[2,3-c]pyridine-2-carboxamide

3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 114289239) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]thieno[2,3-c]pyridine-2-carboxamide
PubChem CID114289239
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESCCN(CC(=O)NC)C(=O)c1sc2cnccc2c1N
InChIInChI=1S/C13H16N4O2S/c1-3-17(7-10(18)15-2)13(19)12-11(14)8-4-5-16-6-9(8)20-12/h4-6H,3,7,14H2,1-2H3,(H,15,18)
InChIKeySADOULCXMUICFE-UHFFFAOYSA-N
XLogP1.09
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-methyl-N-pentan-3-ylthieno[2,3-c]pyridine-2-carboxamide
CID 114289192
1-(3-aminothieno[2,3-c]pyridin-2-yl)butan-1-one
CID 58826843
3-amino-N-(2-methylprop-2-enyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114619385
3-amino-N-[3-(dimethylamino)propyl]-N-methylthieno[2,3-c]pyridine-2-carboxamide
CID 114289351
3-amino-N',N'-dimethylthieno[2,3-c]pyridine-2-carbohydrazide
CID 83024926
3-amino-N-(3-methylpentan-3-yl)thieno[2,3-c]pyridine-2-carboxamide
CID 106331585
3-amino-N-(5-hydroxypentyl)-N-methylthieno[2,3-c]pyridine-2-carboxamide
CID 107207347
3-amino-N-(3-methylbutyl)thieno[2,3-c]pyridine-2-carboxamide
CID 113269830
3-amino-N-tert-butylthieno[2,3-c]pyridine-2-carboxamide
CID 113269822
propan-2-yl 3-aminothieno[2,3-c]pyridine-2-carboxylate
CID 69161368
3-amino-N-(pyridin-3-ylmethyl)thieno[2,3-c]pyridine-2-carboxamide
CID 114289134
3-amino-N-[(E)-pent-3-enyl]thieno[2,3-c]pyridine-2-carboxamide
CID 113466186

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]thieno[2,3-c]pyridine-2-carboxamide (CID 114289239) is 3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]thieno[2,3-c]pyridine-2-carboxamide is CCN(CC(=O)NC)C(=O)c1sc2cnccc2c1N.
What is the InChIKey of 3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is SADOULCXMUICFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-3-17(7-10(18)15-2)13(19)12-11(14)8-4-5-16-6-9(8)20-12/h4-6H,3,7,14H2,1-2H3,(H,15,18).
What are the key properties of 3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]thieno[2,3-c]pyridine-2-carboxamide?
3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 114289239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).