3-amino-5-(1-hydroxyethyl)-6-methyl-N-(2-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide

C18H19N3O2S — CID 155808799

IUPAC3-amino-5-(1-hydroxyethyl)-6-methyl-N-(2-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccccc1NC(=O)c1sc2nc(C)c(C(C)O)cc2c1N
InChIInChI=1S/C18H19N3O2S/c1-9-6-4-5-7-14(9)21-17(23)16-15(19)13-8-12(11(3)22)10(2)20-18(13)24-16/h4-8,11,22H,19H2,1-3H3,(H,21,23)
InChIKeyUQHPDGPXCLZVQI-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.80
Rot. Bonds3

About 3-amino-5-(1-hydroxyethyl)-6-methyl-N-(2-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-5-(1-hydroxyethyl)-6-methyl-N-(2-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 155808799) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 3-amino-5-(1-hydroxyethyl)-6-methyl-N-(2-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(1-hydroxyethyl)-6-methyl-N-(2-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID155808799
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name3-amino-5-(1-hydroxyethyl)-6-methyl-N-(2-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccccc1NC(=O)c1sc2nc(C)c(C(C)O)cc2c1N
InChIInChI=1S/C18H19N3O2S/c1-9-6-4-5-7-14(9)21-17(23)16-15(19)13-8-12(11(3)22)10(2)20-18(13)24-16/h4-8,11,22H,19H2,1-3H3,(H,21,23)
InChIKeyUQHPDGPXCLZVQI-UHFFFAOYSA-N
XLogP3.80
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(1-hydroxyethyl)-6-methyl-N-(2-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-5-(1-hydroxyethyl)-6-methyl-N-(2-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide (CID 155808799) is 3-amino-5-(1-hydroxyethyl)-6-methyl-N-(2-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-5-(1-hydroxyethyl)-6-methyl-N-(2-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-5-(1-hydroxyethyl)-6-methyl-N-(2-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide is Cc1ccccc1NC(=O)c1sc2nc(C)c(C(C)O)cc2c1N.
What is the InChIKey of 3-amino-5-(1-hydroxyethyl)-6-methyl-N-(2-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is UQHPDGPXCLZVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-9-6-4-5-7-14(9)21-17(23)16-15(19)13-8-12(11(3)22)10(2)20-18(13)24-16/h4-8,11,22H,19H2,1-3H3,(H,21,23).
What are the key properties of 3-amino-5-(1-hydroxyethyl)-6-methyl-N-(2-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-5-(1-hydroxyethyl)-6-methyl-N-(2-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 3.80, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(1-hydroxyethyl)-6-methyl-N-(2-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 155808799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).