3-amino-N-cyclopropyl-6-[2-(dimethylamino)-2-oxoethoxy]-4,5-dimethylthieno[2,3-b]pyridine-2-carboxamide

C17H22N4O3S — CID 143221937

IUPAC3-amino-N-cyclopropyl-6-[2-(dimethylamino)-2-oxoethoxy]-4,5-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1c(OCC(=O)N(C)C)nc2sc(C(=O)NC3CC3)c(N)c2c1C
InChIInChI=1S/C17H22N4O3S/c1-8-9(2)16(24-7-11(22)21(3)4)20-17-12(8)13(18)14(25-17)15(23)19-10-5-6-10/h10H,5-7,18H2,1-4H3,(H,19,23)
InChIKeyYLGGBEOYALWUAR-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.85
Rot. Bonds5

About 3-amino-N-cyclopropyl-6-[2-(dimethylamino)-2-oxoethoxy]-4,5-dimethylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-cyclopropyl-6-[2-(dimethylamino)-2-oxoethoxy]-4,5-dimethylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 143221937) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-6-[2-(dimethylamino)-2-oxoethoxy]-4,5-dimethylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-6-[2-(dimethylamino)-2-oxoethoxy]-4,5-dimethylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID143221937
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name3-amino-N-cyclopropyl-6-[2-(dimethylamino)-2-oxoethoxy]-4,5-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1c(OCC(=O)N(C)C)nc2sc(C(=O)NC3CC3)c(N)c2c1C
InChIInChI=1S/C17H22N4O3S/c1-8-9(2)16(24-7-11(22)21(3)4)20-17-12(8)13(18)14(25-17)15(23)19-10-5-6-10/h10H,5-7,18H2,1-4H3,(H,19,23)
InChIKeyYLGGBEOYALWUAR-UHFFFAOYSA-N
XLogP1.85
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-6-[2-(dimethylamino)-2-oxoethoxy]-4,5-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-cyclopropyl-6-[2-(dimethylamino)-2-oxoethoxy]-4,5-dimethylthieno[2,3-b]pyridine-2-carboxamide (CID 143221937) is 3-amino-N-cyclopropyl-6-[2-(dimethylamino)-2-oxoethoxy]-4,5-dimethylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-6-[2-(dimethylamino)-2-oxoethoxy]-4,5-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-cyclopropyl-6-[2-(dimethylamino)-2-oxoethoxy]-4,5-dimethylthieno[2,3-b]pyridine-2-carboxamide is Cc1c(OCC(=O)N(C)C)nc2sc(C(=O)NC3CC3)c(N)c2c1C.
What is the InChIKey of 3-amino-N-cyclopropyl-6-[2-(dimethylamino)-2-oxoethoxy]-4,5-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is YLGGBEOYALWUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-8-9(2)16(24-7-11(22)21(3)4)20-17-12(8)13(18)14(25-17)15(23)19-10-5-6-10/h10H,5-7,18H2,1-4H3,(H,19,23).
What are the key properties of 3-amino-N-cyclopropyl-6-[2-(dimethylamino)-2-oxoethoxy]-4,5-dimethylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-cyclopropyl-6-[2-(dimethylamino)-2-oxoethoxy]-4,5-dimethylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-6-[2-(dimethylamino)-2-oxoethoxy]-4,5-dimethylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 143221937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).