N-(2-hydroxyethyl)-4-(methoxymethyl)-6-methyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide

C17H19N3O3S — CID 5294653

IUPACN-(2-hydroxyethyl)-4-(methoxymethyl)-6-methyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOCc1cc(C)nc2sc(C(=O)NCCO)c(-n3cccc3)c12
InChIInChI=1S/C17H19N3O3S/c1-11-9-12(10-23-2)13-14(20-6-3-4-7-20)15(24-17(13)19-11)16(22)18-5-8-21/h3-4,6-7,9,21H,5,8,10H2,1-2H3,(H,18,22)
InChIKeyWXVGGDIPJKLODY-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.26
Rot. Bonds6

About N-(2-hydroxyethyl)-4-(methoxymethyl)-6-methyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide

N-(2-hydroxyethyl)-4-(methoxymethyl)-6-methyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 5294653) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-(methoxymethyl)-6-methyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-(methoxymethyl)-6-methyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID5294653
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-(2-hydroxyethyl)-4-(methoxymethyl)-6-methyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOCc1cc(C)nc2sc(C(=O)NCCO)c(-n3cccc3)c12
InChIInChI=1S/C17H19N3O3S/c1-11-9-12(10-23-2)13-14(20-6-3-4-7-20)15(24-17(13)19-11)16(22)18-5-8-21/h3-4,6-7,9,21H,5,8,10H2,1-2H3,(H,18,22)
InChIKeyWXVGGDIPJKLODY-UHFFFAOYSA-N
XLogP2.26
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-(methoxymethyl)-6-methyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-4-(methoxymethyl)-6-methyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide (CID 5294653) is N-(2-hydroxyethyl)-4-(methoxymethyl)-6-methyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-(methoxymethyl)-6-methyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-(methoxymethyl)-6-methyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide is COCc1cc(C)nc2sc(C(=O)NCCO)c(-n3cccc3)c12.
What is the InChIKey of N-(2-hydroxyethyl)-4-(methoxymethyl)-6-methyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is WXVGGDIPJKLODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-11-9-12(10-23-2)13-14(20-6-3-4-7-20)15(24-17(13)19-11)16(22)18-5-8-21/h3-4,6-7,9,21H,5,8,10H2,1-2H3,(H,18,22).
What are the key properties of N-(2-hydroxyethyl)-4-(methoxymethyl)-6-methyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide?
N-(2-hydroxyethyl)-4-(methoxymethyl)-6-methyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-(methoxymethyl)-6-methyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 5294653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).