1-(2-methoxypentyl)-3-(methylamino)pyridin-2-one

C12H20N2O2 — CID 154661671

IUPAC1-(2-methoxypentyl)-3-(methylamino)pyridin-2-one
SMILESCCCC(Cn1cccc(NC)c1=O)OC
InChIInChI=1S/C12H20N2O2/c1-4-6-10(16-3)9-14-8-5-7-11(13-2)12(14)15/h5,7-8,10,13H,4,6,9H2,1-3H3
InChIKeyBZTYRYNTZBBLKY-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.71
Rot. Bonds6

About 1-(2-methoxypentyl)-3-(methylamino)pyridin-2-one

1-(2-methoxypentyl)-3-(methylamino)pyridin-2-one (PubChem CID 154661671) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-(2-methoxypentyl)-3-(methylamino)pyridin-2-one.

Molecular Properties

Compound Name1-(2-methoxypentyl)-3-(methylamino)pyridin-2-one
PubChem CID154661671
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-(2-methoxypentyl)-3-(methylamino)pyridin-2-one
SMILESCCCC(Cn1cccc(NC)c1=O)OC
InChIInChI=1S/C12H20N2O2/c1-4-6-10(16-3)9-14-8-5-7-11(13-2)12(14)15/h5,7-8,10,13H,4,6,9H2,1-3H3
InChIKeyBZTYRYNTZBBLKY-UHFFFAOYSA-N
XLogP1.71
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxypentyl)-3-(methylamino)pyridin-2-one?
The IUPAC name of 1-(2-methoxypentyl)-3-(methylamino)pyridin-2-one (CID 154661671) is 1-(2-methoxypentyl)-3-(methylamino)pyridin-2-one.
What is the SMILES notation for 1-(2-methoxypentyl)-3-(methylamino)pyridin-2-one?
The canonical SMILES for 1-(2-methoxypentyl)-3-(methylamino)pyridin-2-one is CCCC(Cn1cccc(NC)c1=O)OC.
What is the InChIKey of 1-(2-methoxypentyl)-3-(methylamino)pyridin-2-one?
The InChIKey is BZTYRYNTZBBLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-4-6-10(16-3)9-14-8-5-7-11(13-2)12(14)15/h5,7-8,10,13H,4,6,9H2,1-3H3.
What are the key properties of 1-(2-methoxypentyl)-3-(methylamino)pyridin-2-one?
1-(2-methoxypentyl)-3-(methylamino)pyridin-2-one has a molecular weight of 224.30 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxypentyl)-3-(methylamino)pyridin-2-one is sourced from PubChem (CID 154661671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).