3-[3-(dimethylamino)propoxy]-2-methyl-1H-pyridin-4-one

C11H18N2O2 — CID 82064671

IUPAC3-[3-(dimethylamino)propoxy]-2-methyl-1H-pyridin-4-one
SMILESCc1[nH]ccc(=O)c1OCCCN(C)C
InChIInChI=1S/C11H18N2O2/c1-9-11(10(14)5-6-12-9)15-8-4-7-13(2)3/h5-6H,4,7-8H2,1-3H3,(H,12,14)
InChIKeyPXPQXPNPQGYLML-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.01
Rot. Bonds5

About 3-[3-(dimethylamino)propoxy]-2-methyl-1H-pyridin-4-one

3-[3-(dimethylamino)propoxy]-2-methyl-1H-pyridin-4-one (PubChem CID 82064671) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propoxy]-2-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3-[3-(dimethylamino)propoxy]-2-methyl-1H-pyridin-4-one
PubChem CID82064671
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-[3-(dimethylamino)propoxy]-2-methyl-1H-pyridin-4-one
SMILESCc1[nH]ccc(=O)c1OCCCN(C)C
InChIInChI=1S/C11H18N2O2/c1-9-11(10(14)5-6-12-9)15-8-4-7-13(2)3/h5-6H,4,7-8H2,1-3H3,(H,12,14)
InChIKeyPXPQXPNPQGYLML-UHFFFAOYSA-N
XLogP1.01
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Methoxy-2-methyl-1H-pyridin-4-one
CID 323424
2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide
CID 2726304
4(1H)-Pyridinone, 3-(acetyloxy)-2-methyl-
CID 72997
2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]propanamide
CID 2726357
Ethyl 3-[(1,2-dimethyl-4-oxo-3-pyridinyl)oxycarbonylamino]propanoate
CID 19862585
2-Aminomethyl-5-propoxy-pyridin-4-ol
CID 42625826
3-(3-methoxypropoxy)-2-methyl-1H-pyridin-4-one
CID 53803421
2-aminomethyl-1-methyl-5-propoxy-1H-pyridin-4-one
CID 59300156
3-butoxy-2-methyl-1H-pyridin-4-one
CID 66596573
3-Ethoxy-2-methylpyridin-4(1H)-one
CID 67414765
2-(aminomethyl)-5-butoxy-1H-pyridin-4-one
CID 67963609
azane;3-ethoxy-2-methyl-1H-pyridin-4-one
CID 68976230

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propoxy]-2-methyl-1H-pyridin-4-one?
The IUPAC name of 3-[3-(dimethylamino)propoxy]-2-methyl-1H-pyridin-4-one (CID 82064671) is 3-[3-(dimethylamino)propoxy]-2-methyl-1H-pyridin-4-one.
What is the SMILES notation for 3-[3-(dimethylamino)propoxy]-2-methyl-1H-pyridin-4-one?
The canonical SMILES for 3-[3-(dimethylamino)propoxy]-2-methyl-1H-pyridin-4-one is Cc1[nH]ccc(=O)c1OCCCN(C)C.
What is the InChIKey of 3-[3-(dimethylamino)propoxy]-2-methyl-1H-pyridin-4-one?
The InChIKey is PXPQXPNPQGYLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-9-11(10(14)5-6-12-9)15-8-4-7-13(2)3/h5-6H,4,7-8H2,1-3H3,(H,12,14).
What are the key properties of 3-[3-(dimethylamino)propoxy]-2-methyl-1H-pyridin-4-one?
3-[3-(dimethylamino)propoxy]-2-methyl-1H-pyridin-4-one has a molecular weight of 210.28 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propoxy]-2-methyl-1H-pyridin-4-one is sourced from PubChem (CID 82064671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).