4-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide

C14H17N3O4S — CID 54742126

IUPAC4-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1c(O)c2cscc2[nH]c1=O
InChIInChI=1S/C14H17N3O4S/c18-12-9-7-22-8-10(9)16-14(20)11(12)13(19)15-1-2-17-3-5-21-6-4-17/h7-8,18H,1-6H2,(H,15,19)(H,16,20)
InChIKeyYNBUSBUOSTXGFJ-UHFFFAOYSA-N
MW323.37 g/mol
LogP0.36
Rot. Bonds4

About 4-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide

4-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide (PubChem CID 54742126) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is 4-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide
PubChem CID54742126
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC Name4-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1c(O)c2cscc2[nH]c1=O
InChIInChI=1S/C14H17N3O4S/c18-12-9-7-22-8-10(9)16-14(20)11(12)13(19)15-1-2-17-3-5-21-6-4-17/h7-8,18H,1-6H2,(H,15,19)(H,16,20)
InChIKeyYNBUSBUOSTXGFJ-UHFFFAOYSA-N
XLogP0.36
TPSA94.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide?
The IUPAC name of 4-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide (CID 54742126) is 4-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide is O=C(NCCN1CCOCC1)c1c(O)c2cscc2[nH]c1=O.
What is the InChIKey of 4-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide?
The InChIKey is YNBUSBUOSTXGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c18-12-9-7-22-8-10(9)16-14(20)11(12)13(19)15-1-2-17-3-5-21-6-4-17/h7-8,18H,1-6H2,(H,15,19)(H,16,20).
What are the key properties of 4-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide?
4-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide has a molecular weight of 323.37 g/mol, XLogP of 0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 54742126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).