5-(2,2-dimethoxyethylamino)-1-methylpyridin-2-one

C10H16N2O3 — CID 63697075

IUPAC5-(2,2-dimethoxyethylamino)-1-methylpyridin-2-one
SMILESCOC(CNc1ccc(=O)n(C)c1)OC
InChIInChI=1S/C10H16N2O3/c1-12-7-8(4-5-9(12)13)11-6-10(14-2)15-3/h4-5,7,10-11H,6H2,1-3H3
InChIKeyDQCNMTQGIKGZKH-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.42
Rot. Bonds5

About 5-(2,2-dimethoxyethylamino)-1-methylpyridin-2-one

5-(2,2-dimethoxyethylamino)-1-methylpyridin-2-one (PubChem CID 63697075) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 5-(2,2-dimethoxyethylamino)-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-(2,2-dimethoxyethylamino)-1-methylpyridin-2-one
PubChem CID63697075
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name5-(2,2-dimethoxyethylamino)-1-methylpyridin-2-one
SMILESCOC(CNc1ccc(=O)n(C)c1)OC
InChIInChI=1S/C10H16N2O3/c1-12-7-8(4-5-9(12)13)11-6-10(14-2)15-3/h4-5,7,10-11H,6H2,1-3H3
InChIKeyDQCNMTQGIKGZKH-UHFFFAOYSA-N
XLogP0.42
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-Amino-1-(2-methoxyethyl)-1,2-dihydropyridin-2-one
CID 20117994
1-(2,2-Dimethoxyethyl)-6-methyl-1,2-dihydropyridin-2-one
CID 66221282
N-(2,2-dimethoxyethyl)-6-oxo-1H-pyridine-2-carboxamide
CID 108108277
1-[1-Methoxy-2-(propan-2-ylamino)ethyl]pyridin-2-one
CID 134278026
3-Amino-1-(2,2-diethoxyethyl)pyridin-2(1H)-one
CID 138585467
3-(Ethylamino)-1-(2-methoxyethyl)pyridin-2-one
CID 139390505
(2Z)-N-(2,2-dimethoxyethyl)-N-methyl-2-(methylamino)penta-2,4-dienamide
CID 171649978
4-(2,2-dimethoxyethylamino)-6-methyl-1H-pyridin-2-one
CID 12287938
4-[(2-Methoxyethyl)amino]-1,6-dimethylhydropyridin-2-one
CID 16448508
1-(2-Methoxyethyl)-4-[(2-methoxyethyl)amino]-6-methylhydropyridin-2-one
CID 16448537
5-Amino-1-(2-methoxyethyl)-1,2-dihydropyridin-2-one hydrochloride
CID 42887712
5-Amino-1-(2-ethoxyethyl)pyridin-2(1h)-one
CID 43259856

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethoxyethylamino)-1-methylpyridin-2-one?
The IUPAC name of 5-(2,2-dimethoxyethylamino)-1-methylpyridin-2-one (CID 63697075) is 5-(2,2-dimethoxyethylamino)-1-methylpyridin-2-one.
What is the SMILES notation for 5-(2,2-dimethoxyethylamino)-1-methylpyridin-2-one?
The canonical SMILES for 5-(2,2-dimethoxyethylamino)-1-methylpyridin-2-one is COC(CNc1ccc(=O)n(C)c1)OC.
What is the InChIKey of 5-(2,2-dimethoxyethylamino)-1-methylpyridin-2-one?
The InChIKey is DQCNMTQGIKGZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-12-7-8(4-5-9(12)13)11-6-10(14-2)15-3/h4-5,7,10-11H,6H2,1-3H3.
What are the key properties of 5-(2,2-dimethoxyethylamino)-1-methylpyridin-2-one?
5-(2,2-dimethoxyethylamino)-1-methylpyridin-2-one has a molecular weight of 212.25 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethoxyethylamino)-1-methylpyridin-2-one is sourced from PubChem (CID 63697075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).