1-ethyl-6-methyl-3-(propylaminomethyl)pyridin-2-one

C12H20N2O — CID 82525446

IUPAC1-ethyl-6-methyl-3-(propylaminomethyl)pyridin-2-one
SMILESCCCNCc1ccc(C)n(CC)c1=O
InChIInChI=1S/C12H20N2O/c1-4-8-13-9-11-7-6-10(3)14(5-2)12(11)15/h6-7,13H,4-5,8-9H2,1-3H3
InChIKeyCVSZCOPWNGVIGG-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.68
Rot. Bonds5

About 1-ethyl-6-methyl-3-(propylaminomethyl)pyridin-2-one

1-ethyl-6-methyl-3-(propylaminomethyl)pyridin-2-one (PubChem CID 82525446) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-ethyl-6-methyl-3-(propylaminomethyl)pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-6-methyl-3-(propylaminomethyl)pyridin-2-one
PubChem CID82525446
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-ethyl-6-methyl-3-(propylaminomethyl)pyridin-2-one
SMILESCCCNCc1ccc(C)n(CC)c1=O
InChIInChI=1S/C12H20N2O/c1-4-8-13-9-11-7-6-10(3)14(5-2)12(11)15/h6-7,13H,4-5,8-9H2,1-3H3
InChIKeyCVSZCOPWNGVIGG-UHFFFAOYSA-N
XLogP1.68
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.68
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

1-butyl-6-methyl-3-(propylaminomethyl)pyridin-2-one
CID 82525151
3-(ethylaminomethyl)-6-methyl-1-propylpyridin-2-one
CID 82525370
3-(butylaminomethyl)-1-(3-methoxypropyl)-6-methylpyridin-2-one
CID 82524753
6-tert-butyl-1-propyl-3-(propylaminomethyl)pyridin-2-one
CID 82523834
1-ethyl-3-(propylaminomethyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 82522595
3-[(butan-2-ylamino)methyl]-6-methyl-1-propylpyridin-2-one
CID 82525364
6-tert-butyl-1-(3-methoxypropyl)-3-(propylaminomethyl)pyridin-2-one
CID 82523460
3-[(butan-2-ylamino)methyl]-1-butyl-6-methylpyridin-2-one
CID 82525147
1-(2-methoxyethyl)-6-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-one
CID 82524808
2-(6-methyl-2-oxo-1-propyl-3-pyridinyl)acetic acid
CID 82525356
6-methyl-1-[4-(propylamino)butyl]pyridin-2-one
CID 62566200
6-(3,4-dimethylphenyl)-3-(ethylaminomethyl)-1-propylpyridin-2-one
CID 82520080

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-methyl-3-(propylaminomethyl)pyridin-2-one?
The IUPAC name of 1-ethyl-6-methyl-3-(propylaminomethyl)pyridin-2-one (CID 82525446) is 1-ethyl-6-methyl-3-(propylaminomethyl)pyridin-2-one.
What is the SMILES notation for 1-ethyl-6-methyl-3-(propylaminomethyl)pyridin-2-one?
The canonical SMILES for 1-ethyl-6-methyl-3-(propylaminomethyl)pyridin-2-one is CCCNCc1ccc(C)n(CC)c1=O.
What is the InChIKey of 1-ethyl-6-methyl-3-(propylaminomethyl)pyridin-2-one?
The InChIKey is CVSZCOPWNGVIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-8-13-9-11-7-6-10(3)14(5-2)12(11)15/h6-7,13H,4-5,8-9H2,1-3H3.
What are the key properties of 1-ethyl-6-methyl-3-(propylaminomethyl)pyridin-2-one?
1-ethyl-6-methyl-3-(propylaminomethyl)pyridin-2-one has a molecular weight of 208.30 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-methyl-3-(propylaminomethyl)pyridin-2-one is sourced from PubChem (CID 82525446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).