1-ethyl-5-[1-(4-nitrophenyl)ethylamino]pyridin-2-one

C15H17N3O3 — CID 60943542

IUPAC1-ethyl-5-[1-(4-nitrophenyl)ethylamino]pyridin-2-one
SMILESCCn1cc(NC(C)c2ccc([N+](=O)[O-])cc2)ccc1=O
InChIInChI=1S/C15H17N3O3/c1-3-17-10-13(6-9-15(17)19)16-11(2)12-4-7-14(8-5-12)18(20)21/h4-11,16H,3H2,1-2H3
InChIKeyIRUXFTWJRMYOSJ-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.95
Rot. Bonds5

About 1-ethyl-5-[1-(4-nitrophenyl)ethylamino]pyridin-2-one

1-ethyl-5-[1-(4-nitrophenyl)ethylamino]pyridin-2-one (PubChem CID 60943542) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-ethyl-5-[1-(4-nitrophenyl)ethylamino]pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-5-[1-(4-nitrophenyl)ethylamino]pyridin-2-one
PubChem CID60943542
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name1-ethyl-5-[1-(4-nitrophenyl)ethylamino]pyridin-2-one
SMILESCCn1cc(NC(C)c2ccc([N+](=O)[O-])cc2)ccc1=O
InChIInChI=1S/C15H17N3O3/c1-3-17-10-13(6-9-15(17)19)16-11(2)12-4-7-14(8-5-12)18(20)21/h4-11,16H,3H2,1-2H3
InChIKeyIRUXFTWJRMYOSJ-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
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'}

Analyze 1-ethyl-5-[1-(4-nitrophenyl)ethylamino]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-[(1-ethyl-6-oxo-3-pyridinyl)amino]ethyl]benzonitrile
CID 60942779
5-[1-(3,5-dihydroxyphenyl)ethylamino]-1-ethylpyridin-2-one
CID 107706094
1-ethyl-N-[1-(4-nitrophenyl)ethyl]pyrazol-4-amine
CID 43543267
5-[1-(3-chloro-4-fluorophenyl)ethylamino]-1-ethylpyridin-2-one
CID 60942913
4-[1-[(6-oxo-1-propyl-3-pyridinyl)amino]ethyl]benzonitrile
CID 60943308
5-[1-(3-bromo-4-fluorophenyl)ethylamino]-1-ethylpyridin-2-one
CID 60943912
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-nitroaniline
CID 30226768
5-(2,6-dimethylheptan-4-ylamino)-1-ethylpyridin-2-one
CID 54863810
4-methoxy-N-[(1R)-1-(4-nitrophenyl)ethyl]aniline
CID 101388869
4-nitro-N-(1-pyridin-4-ylethyl)aniline
CID 43396000
5-(1-cyclopropylethylamino)-1-ethylpyridin-2-one
CID 60944027
4-fluoro-3-methyl-N-[1-(4-nitrophenyl)ethyl]aniline
CID 62810884

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[1-(4-nitrophenyl)ethylamino]pyridin-2-one?
The IUPAC name of 1-ethyl-5-[1-(4-nitrophenyl)ethylamino]pyridin-2-one (CID 60943542) is 1-ethyl-5-[1-(4-nitrophenyl)ethylamino]pyridin-2-one.
What is the SMILES notation for 1-ethyl-5-[1-(4-nitrophenyl)ethylamino]pyridin-2-one?
The canonical SMILES for 1-ethyl-5-[1-(4-nitrophenyl)ethylamino]pyridin-2-one is CCn1cc(NC(C)c2ccc([N+](=O)[O-])cc2)ccc1=O.
What is the InChIKey of 1-ethyl-5-[1-(4-nitrophenyl)ethylamino]pyridin-2-one?
The InChIKey is IRUXFTWJRMYOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-3-17-10-13(6-9-15(17)19)16-11(2)12-4-7-14(8-5-12)18(20)21/h4-11,16H,3H2,1-2H3.
What are the key properties of 1-ethyl-5-[1-(4-nitrophenyl)ethylamino]pyridin-2-one?
1-ethyl-5-[1-(4-nitrophenyl)ethylamino]pyridin-2-one has a molecular weight of 287.32 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[1-(4-nitrophenyl)ethylamino]pyridin-2-one is sourced from PubChem (CID 60943542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).