1-ethyl-3-(methylaminomethyl)-6-(3-nitrophenyl)pyridin-2-one

C15H17N3O3 — CID 82517103

IUPAC1-ethyl-3-(methylaminomethyl)-6-(3-nitrophenyl)pyridin-2-one
SMILESCCn1c(-c2cccc([N+](=O)[O-])c2)ccc(CNC)c1=O
InChIInChI=1S/C15H17N3O3/c1-3-17-14(8-7-12(10-16-2)15(17)19)11-5-4-6-13(9-11)18(20)21/h4-9,16H,3,10H2,1-2H3
InChIKeyWDXFNYIBYNBSPE-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.16
Rot. Bonds5

About 1-ethyl-3-(methylaminomethyl)-6-(3-nitrophenyl)pyridin-2-one

1-ethyl-3-(methylaminomethyl)-6-(3-nitrophenyl)pyridin-2-one (PubChem CID 82517103) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-ethyl-3-(methylaminomethyl)-6-(3-nitrophenyl)pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-3-(methylaminomethyl)-6-(3-nitrophenyl)pyridin-2-one
PubChem CID82517103
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name1-ethyl-3-(methylaminomethyl)-6-(3-nitrophenyl)pyridin-2-one
SMILESCCn1c(-c2cccc([N+](=O)[O-])c2)ccc(CNC)c1=O
InChIInChI=1S/C15H17N3O3/c1-3-17-14(8-7-12(10-16-2)15(17)19)11-5-4-6-13(9-11)18(20)21/h4-9,16H,3,10H2,1-2H3
InChIKeyWDXFNYIBYNBSPE-UHFFFAOYSA-N
XLogP2.16
TPSA77.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-6-(3-nitrophenyl)-2-oxopyridine-3-carbonitrile
CID 82099228
1-butyl-3-(hydroxymethyl)-6-(3-nitrophenyl)pyridin-2-one
CID 82517056
3-(aminomethyl)-1-(2-methoxyethyl)-6-(3-nitrophenyl)pyridin-2-one
CID 82517042
6-(3-nitrophenyl)-2-oxo-1-propylpyridine-3-carboxylic acid
CID 82099816
1-[2-methoxy-5-(3-nitrophenyl)phenyl]-N-methylmethanamine
CID 61385585
N-methyl-1-[3-methyl-4-(3-nitrophenyl)phenyl]methanamine
CID 66479824
N-methyl-1-[4-(3-nitrophenyl)thiophen-2-yl]methanamine
CID 54984954
1-(3-hydroxypropyl)-6-(3-nitrophenyl)-2-oxopyridine-3-carbonitrile
CID 82099234
1-[2-(2-ethylpyrazol-3-yl)-5-nitrophenyl]-N-methylmethanamine;hydrochloride
CID 162305249
N-methyl-1-(3-nitrophenyl)methanamine;hydrochloride
CID 522947
3-(hydroxymethyl)-1-(2-methylpropyl)-6-(4-nitrophenyl)pyridin-2-one
CID 82516944
4-(ethylaminomethyl)-2-methyl-6-(3-nitrophenyl)pyridazin-3-one
CID 82444570

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(methylaminomethyl)-6-(3-nitrophenyl)pyridin-2-one?
The IUPAC name of 1-ethyl-3-(methylaminomethyl)-6-(3-nitrophenyl)pyridin-2-one (CID 82517103) is 1-ethyl-3-(methylaminomethyl)-6-(3-nitrophenyl)pyridin-2-one.
What is the SMILES notation for 1-ethyl-3-(methylaminomethyl)-6-(3-nitrophenyl)pyridin-2-one?
The canonical SMILES for 1-ethyl-3-(methylaminomethyl)-6-(3-nitrophenyl)pyridin-2-one is CCn1c(-c2cccc([N+](=O)[O-])c2)ccc(CNC)c1=O.
What is the InChIKey of 1-ethyl-3-(methylaminomethyl)-6-(3-nitrophenyl)pyridin-2-one?
The InChIKey is WDXFNYIBYNBSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-3-17-14(8-7-12(10-16-2)15(17)19)11-5-4-6-13(9-11)18(20)21/h4-9,16H,3,10H2,1-2H3.
What are the key properties of 1-ethyl-3-(methylaminomethyl)-6-(3-nitrophenyl)pyridin-2-one?
1-ethyl-3-(methylaminomethyl)-6-(3-nitrophenyl)pyridin-2-one has a molecular weight of 287.32 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(methylaminomethyl)-6-(3-nitrophenyl)pyridin-2-one is sourced from PubChem (CID 82517103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).