4-methyl-7-oxothieno[3,2-b]pyridine-6-carboxamide;hydrate

C9H10N2O3S — CID 19843269

IUPAC4-methyl-7-oxothieno[3,2-b]pyridine-6-carboxamide;hydrate
SMILESCn1cc(C(N)=O)c(=O)c2sccc21.O
InChIInChI=1S/C9H8N2O2S.H2O/c1-11-4-5(9(10)13)7(12)8-6(11)2-3-14-8;/h2-4H,1H3,(H2,10,13);1H2
InChIKeyXPSBWVFEVBMUDB-UHFFFAOYSA-N
MW226.26 g/mol
LogP-0.13
Rot. Bonds1

About 4-methyl-7-oxothieno[3,2-b]pyridine-6-carboxamide;hydrate

4-methyl-7-oxothieno[3,2-b]pyridine-6-carboxamide;hydrate (PubChem CID 19843269) has the molecular formula C9H10N2O3S and a molecular weight of 226.26 g/mol. Its IUPAC name is 4-methyl-7-oxothieno[3,2-b]pyridine-6-carboxamide;hydrate.

Molecular Properties

Compound Name4-methyl-7-oxothieno[3,2-b]pyridine-6-carboxamide;hydrate
PubChem CID19843269
Molecular FormulaC9H10N2O3S
Molecular Weight226.26 g/mol
Exact Mass226.04
IUPAC Name4-methyl-7-oxothieno[3,2-b]pyridine-6-carboxamide;hydrate
SMILESCn1cc(C(N)=O)c(=O)c2sccc21.O
InChIInChI=1S/C9H8N2O2S.H2O/c1-11-4-5(9(10)13)7(12)8-6(11)2-3-14-8;/h2-4H,1H3,(H2,10,13);1H2
InChIKeyXPSBWVFEVBMUDB-UHFFFAOYSA-N
XLogP-0.13
TPSA96.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-oxothieno[3,2-b]pyridine-6-carboxamide;hydrate?
The IUPAC name of 4-methyl-7-oxothieno[3,2-b]pyridine-6-carboxamide;hydrate (CID 19843269) is 4-methyl-7-oxothieno[3,2-b]pyridine-6-carboxamide;hydrate.
What is the SMILES notation for 4-methyl-7-oxothieno[3,2-b]pyridine-6-carboxamide;hydrate?
The canonical SMILES for 4-methyl-7-oxothieno[3,2-b]pyridine-6-carboxamide;hydrate is Cn1cc(C(N)=O)c(=O)c2sccc21.O.
What is the InChIKey of 4-methyl-7-oxothieno[3,2-b]pyridine-6-carboxamide;hydrate?
The InChIKey is XPSBWVFEVBMUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S.H2O/c1-11-4-5(9(10)13)7(12)8-6(11)2-3-14-8;/h2-4H,1H3,(H2,10,13);1H2.
What are the key properties of 4-methyl-7-oxothieno[3,2-b]pyridine-6-carboxamide;hydrate?
4-methyl-7-oxothieno[3,2-b]pyridine-6-carboxamide;hydrate has a molecular weight of 226.26 g/mol, XLogP of -0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-oxothieno[3,2-b]pyridine-6-carboxamide;hydrate is sourced from PubChem (CID 19843269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).