3-[(2-methoxyethylamino)methyl]-1-(3-methoxypropyl)-4,6-dimethylpyridin-2-one

C15H26N2O3 — CID 82525641

IUPAC3-[(2-methoxyethylamino)methyl]-1-(3-methoxypropyl)-4,6-dimethylpyridin-2-one
SMILESCOCCCn1c(C)cc(C)c(CNCCOC)c1=O
InChIInChI=1S/C15H26N2O3/c1-12-10-13(2)17(7-5-8-19-3)15(18)14(12)11-16-6-9-20-4/h10,16H,5-9,11H2,1-4H3
InChIKeyKWBYEHPKMQYPGU-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.24
Rot. Bonds9

About 3-[(2-methoxyethylamino)methyl]-1-(3-methoxypropyl)-4,6-dimethylpyridin-2-one

3-[(2-methoxyethylamino)methyl]-1-(3-methoxypropyl)-4,6-dimethylpyridin-2-one (PubChem CID 82525641) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-[(2-methoxyethylamino)methyl]-1-(3-methoxypropyl)-4,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name3-[(2-methoxyethylamino)methyl]-1-(3-methoxypropyl)-4,6-dimethylpyridin-2-one
PubChem CID82525641
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name3-[(2-methoxyethylamino)methyl]-1-(3-methoxypropyl)-4,6-dimethylpyridin-2-one
SMILESCOCCCn1c(C)cc(C)c(CNCCOC)c1=O
InChIInChI=1S/C15H26N2O3/c1-12-10-13(2)17(7-5-8-19-3)15(18)14(12)11-16-6-9-20-4/h10,16H,5-9,11H2,1-4H3
InChIKeyKWBYEHPKMQYPGU-UHFFFAOYSA-N
XLogP1.24
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyethylamino)methyl]-1-(3-methoxypropyl)-4,6-dimethylpyridin-2-one?
The IUPAC name of 3-[(2-methoxyethylamino)methyl]-1-(3-methoxypropyl)-4,6-dimethylpyridin-2-one (CID 82525641) is 3-[(2-methoxyethylamino)methyl]-1-(3-methoxypropyl)-4,6-dimethylpyridin-2-one.
What is the SMILES notation for 3-[(2-methoxyethylamino)methyl]-1-(3-methoxypropyl)-4,6-dimethylpyridin-2-one?
The canonical SMILES for 3-[(2-methoxyethylamino)methyl]-1-(3-methoxypropyl)-4,6-dimethylpyridin-2-one is COCCCn1c(C)cc(C)c(CNCCOC)c1=O.
What is the InChIKey of 3-[(2-methoxyethylamino)methyl]-1-(3-methoxypropyl)-4,6-dimethylpyridin-2-one?
The InChIKey is KWBYEHPKMQYPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-12-10-13(2)17(7-5-8-19-3)15(18)14(12)11-16-6-9-20-4/h10,16H,5-9,11H2,1-4H3.
What are the key properties of 3-[(2-methoxyethylamino)methyl]-1-(3-methoxypropyl)-4,6-dimethylpyridin-2-one?
3-[(2-methoxyethylamino)methyl]-1-(3-methoxypropyl)-4,6-dimethylpyridin-2-one has a molecular weight of 282.38 g/mol, XLogP of 1.24, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyethylamino)methyl]-1-(3-methoxypropyl)-4,6-dimethylpyridin-2-one is sourced from PubChem (CID 82525641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).