3-amino-1-[(5-methylthiophen-3-yl)methyl]pyridin-4-one

C11H12N2OS — CID 165481961

IUPAC3-amino-1-[(5-methylthiophen-3-yl)methyl]pyridin-4-one
SMILESCc1cc(Cn2ccc(=O)c(N)c2)cs1
InChIInChI=1S/C11H12N2OS/c1-8-4-9(7-15-8)5-13-3-2-11(14)10(12)6-13/h2-4,6-7H,5,12H2,1H3
InChIKeyQICSEZQYCJRYPO-UHFFFAOYSA-N
MW220.30 g/mol
LogP1.85
Rot. Bonds2

About 3-amino-1-[(5-methylthiophen-3-yl)methyl]pyridin-4-one

3-amino-1-[(5-methylthiophen-3-yl)methyl]pyridin-4-one (PubChem CID 165481961) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 3-amino-1-[(5-methylthiophen-3-yl)methyl]pyridin-4-one.

Molecular Properties

Compound Name3-amino-1-[(5-methylthiophen-3-yl)methyl]pyridin-4-one
PubChem CID165481961
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name3-amino-1-[(5-methylthiophen-3-yl)methyl]pyridin-4-one
SMILESCc1cc(Cn2ccc(=O)c(N)c2)cs1
InChIInChI=1S/C11H12N2OS/c1-8-4-9(7-15-8)5-13-3-2-11(14)10(12)6-13/h2-4,6-7H,5,12H2,1H3
InChIKeyQICSEZQYCJRYPO-UHFFFAOYSA-N
XLogP1.85
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(5-methylthiophen-3-yl)methyl]pyridin-4-one?
The IUPAC name of 3-amino-1-[(5-methylthiophen-3-yl)methyl]pyridin-4-one (CID 165481961) is 3-amino-1-[(5-methylthiophen-3-yl)methyl]pyridin-4-one.
What is the SMILES notation for 3-amino-1-[(5-methylthiophen-3-yl)methyl]pyridin-4-one?
The canonical SMILES for 3-amino-1-[(5-methylthiophen-3-yl)methyl]pyridin-4-one is Cc1cc(Cn2ccc(=O)c(N)c2)cs1.
What is the InChIKey of 3-amino-1-[(5-methylthiophen-3-yl)methyl]pyridin-4-one?
The InChIKey is QICSEZQYCJRYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-8-4-9(7-15-8)5-13-3-2-11(14)10(12)6-13/h2-4,6-7H,5,12H2,1H3.
What are the key properties of 3-amino-1-[(5-methylthiophen-3-yl)methyl]pyridin-4-one?
3-amino-1-[(5-methylthiophen-3-yl)methyl]pyridin-4-one has a molecular weight of 220.30 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(5-methylthiophen-3-yl)methyl]pyridin-4-one is sourced from PubChem (CID 165481961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).