3-amino-6-methyl-5-pyridin-4-yl-1H-pyridin-2-one

C11H11N3O — CID 12799333

IUPAC3-amino-6-methyl-5-pyridin-4-yl-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(N)cc1-c1ccncc1
InChIInChI=1S/C11H11N3O/c1-7-9(6-10(12)11(15)14-7)8-2-4-13-5-3-8/h2-6H,12H2,1H3,(H,14,15)
InChIKeyPODUQVUYRAXKPI-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.33
Rot. Bonds1

About 3-amino-6-methyl-5-pyridin-4-yl-1H-pyridin-2-one

3-amino-6-methyl-5-pyridin-4-yl-1H-pyridin-2-one (PubChem CID 12799333) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 3-amino-6-methyl-5-pyridin-4-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-amino-6-methyl-5-pyridin-4-yl-1H-pyridin-2-one
PubChem CID12799333
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name3-amino-6-methyl-5-pyridin-4-yl-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(N)cc1-c1ccncc1
InChIInChI=1S/C11H11N3O/c1-7-9(6-10(12)11(15)14-7)8-2-4-13-5-3-8/h2-6H,12H2,1H3,(H,14,15)
InChIKeyPODUQVUYRAXKPI-UHFFFAOYSA-N
XLogP1.33
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-5-pyridin-4-yl-1H-pyridin-2-one?
The IUPAC name of 3-amino-6-methyl-5-pyridin-4-yl-1H-pyridin-2-one (CID 12799333) is 3-amino-6-methyl-5-pyridin-4-yl-1H-pyridin-2-one.
What is the SMILES notation for 3-amino-6-methyl-5-pyridin-4-yl-1H-pyridin-2-one?
The canonical SMILES for 3-amino-6-methyl-5-pyridin-4-yl-1H-pyridin-2-one is Cc1[nH]c(=O)c(N)cc1-c1ccncc1.
What is the InChIKey of 3-amino-6-methyl-5-pyridin-4-yl-1H-pyridin-2-one?
The InChIKey is PODUQVUYRAXKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-7-9(6-10(12)11(15)14-7)8-2-4-13-5-3-8/h2-6H,12H2,1H3,(H,14,15).
What are the key properties of 3-amino-6-methyl-5-pyridin-4-yl-1H-pyridin-2-one?
3-amino-6-methyl-5-pyridin-4-yl-1H-pyridin-2-one has a molecular weight of 201.23 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methyl-5-pyridin-4-yl-1H-pyridin-2-one is sourced from PubChem (CID 12799333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).