3-amino-1-(thiophen-3-ylmethyl)pyridin-2-one

C10H10N2OS — CID 62101964

IUPAC3-amino-1-(thiophen-3-ylmethyl)pyridin-2-one
SMILESNc1cccn(Cc2ccsc2)c1=O
InChIInChI=1S/C10H10N2OS/c11-9-2-1-4-12(10(9)13)6-8-3-5-14-7-8/h1-5,7H,6,11H2
InChIKeyZDAROPPWBLBYEQ-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.54
Rot. Bonds2

About 3-amino-1-(thiophen-3-ylmethyl)pyridin-2-one

3-amino-1-(thiophen-3-ylmethyl)pyridin-2-one (PubChem CID 62101964) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 3-amino-1-(thiophen-3-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-(thiophen-3-ylmethyl)pyridin-2-one
PubChem CID62101964
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name3-amino-1-(thiophen-3-ylmethyl)pyridin-2-one
SMILESNc1cccn(Cc2ccsc2)c1=O
InChIInChI=1S/C10H10N2OS/c11-9-2-1-4-12(10(9)13)6-8-3-5-14-7-8/h1-5,7H,6,11H2
InChIKeyZDAROPPWBLBYEQ-UHFFFAOYSA-N
XLogP1.54
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(thiophen-3-ylmethyl)pyridin-2-one?
The IUPAC name of 3-amino-1-(thiophen-3-ylmethyl)pyridin-2-one (CID 62101964) is 3-amino-1-(thiophen-3-ylmethyl)pyridin-2-one.
What is the SMILES notation for 3-amino-1-(thiophen-3-ylmethyl)pyridin-2-one?
The canonical SMILES for 3-amino-1-(thiophen-3-ylmethyl)pyridin-2-one is Nc1cccn(Cc2ccsc2)c1=O.
What is the InChIKey of 3-amino-1-(thiophen-3-ylmethyl)pyridin-2-one?
The InChIKey is ZDAROPPWBLBYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c11-9-2-1-4-12(10(9)13)6-8-3-5-14-7-8/h1-5,7H,6,11H2.
What are the key properties of 3-amino-1-(thiophen-3-ylmethyl)pyridin-2-one?
3-amino-1-(thiophen-3-ylmethyl)pyridin-2-one has a molecular weight of 206.27 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(thiophen-3-ylmethyl)pyridin-2-one is sourced from PubChem (CID 62101964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).