3-methyl-1-[2-(methylamino)pentyl]pyridin-2-one

C12H20N2O — CID 63172866

IUPAC3-methyl-1-[2-(methylamino)pentyl]pyridin-2-one
SMILESCCCC(Cn1cccc(C)c1=O)NC
InChIInChI=1S/C12H20N2O/c1-4-6-11(13-3)9-14-8-5-7-10(2)12(14)15/h5,7-8,11,13H,4,6,9H2,1-3H3
InChIKeyPTBSQHBYNPXUOD-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.54
Rot. Bonds5

About 3-methyl-1-[2-(methylamino)pentyl]pyridin-2-one

3-methyl-1-[2-(methylamino)pentyl]pyridin-2-one (PubChem CID 63172866) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 3-methyl-1-[2-(methylamino)pentyl]pyridin-2-one.

Molecular Properties

Compound Name3-methyl-1-[2-(methylamino)pentyl]pyridin-2-one
PubChem CID63172866
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name3-methyl-1-[2-(methylamino)pentyl]pyridin-2-one
SMILESCCCC(Cn1cccc(C)c1=O)NC
InChIInChI=1S/C12H20N2O/c1-4-6-11(13-3)9-14-8-5-7-10(2)12(14)15/h5,7-8,11,13H,4,6,9H2,1-3H3
InChIKeyPTBSQHBYNPXUOD-UHFFFAOYSA-N
XLogP1.54
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(methylamino)pentyl]pyridin-2-one?
The IUPAC name of 3-methyl-1-[2-(methylamino)pentyl]pyridin-2-one (CID 63172866) is 3-methyl-1-[2-(methylamino)pentyl]pyridin-2-one.
What is the SMILES notation for 3-methyl-1-[2-(methylamino)pentyl]pyridin-2-one?
The canonical SMILES for 3-methyl-1-[2-(methylamino)pentyl]pyridin-2-one is CCCC(Cn1cccc(C)c1=O)NC.
What is the InChIKey of 3-methyl-1-[2-(methylamino)pentyl]pyridin-2-one?
The InChIKey is PTBSQHBYNPXUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-6-11(13-3)9-14-8-5-7-10(2)12(14)15/h5,7-8,11,13H,4,6,9H2,1-3H3.
What are the key properties of 3-methyl-1-[2-(methylamino)pentyl]pyridin-2-one?
3-methyl-1-[2-(methylamino)pentyl]pyridin-2-one has a molecular weight of 208.31 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(methylamino)pentyl]pyridin-2-one is sourced from PubChem (CID 63172866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).