3-methyl-5-nitro-1-(1-oxo-1-phenylpropan-2-yl)pyridin-2-one

C15H14N2O4 — CID 84570206

IUPAC3-methyl-5-nitro-1-(1-oxo-1-phenylpropan-2-yl)pyridin-2-one
SMILESCc1cc([N+](=O)[O-])cn(C(C)C(=O)c2ccccc2)c1=O
InChIInChI=1S/C15H14N2O4/c1-10-8-13(17(20)21)9-16(15(10)19)11(2)14(18)12-6-4-3-5-7-12/h3-9,11H,1-2H3
InChIKeyJAWYXIVCPROQBP-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.51
Rot. Bonds4

About 3-methyl-5-nitro-1-(1-oxo-1-phenylpropan-2-yl)pyridin-2-one

3-methyl-5-nitro-1-(1-oxo-1-phenylpropan-2-yl)pyridin-2-one (PubChem CID 84570206) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 3-methyl-5-nitro-1-(1-oxo-1-phenylpropan-2-yl)pyridin-2-one.

Molecular Properties

Compound Name3-methyl-5-nitro-1-(1-oxo-1-phenylpropan-2-yl)pyridin-2-one
PubChem CID84570206
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name3-methyl-5-nitro-1-(1-oxo-1-phenylpropan-2-yl)pyridin-2-one
SMILESCc1cc([N+](=O)[O-])cn(C(C)C(=O)c2ccccc2)c1=O
InChIInChI=1S/C15H14N2O4/c1-10-8-13(17(20)21)9-16(15(10)19)11(2)14(18)12-6-4-3-5-7-12/h3-9,11H,1-2H3
InChIKeyJAWYXIVCPROQBP-UHFFFAOYSA-N
XLogP2.51
TPSA82.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.51
H-Bond Donors ≤ 50
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

3-methyl-5-nitro-1-(3-oxobutan-2-yl)pyridin-2-one
CID 84570624
methyl 2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)-2-phenylacetate
CID 84570450
N-(4-methoxyphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)propanamide
CID 84572490
N-(3,4-dimethoxyphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)propanamide
CID 84572510
methyl 2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)butanoate
CID 84573279
4-[(3-methyl-5-nitro-2-oxo-1-pyridinyl)methyl]benzoic acid
CID 84570725
(2-methyl-4-nitrophenyl)-phenylmethanone
CID 12846491
(2R)-N-(3-acetylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)propanamide
CID 7467767
N-(4-anilinophenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide
CID 84572516
2-(4-methylphenyl)-3-(4-nitrophenyl)-1,4-diphenylbutane-1,4-dione
CID 122386072
dimethylcarbamic acid;(2,6-dimethyl-4-nitrophenyl)-phenylmethanone
CID 157499706
(3,5-dimethyl-4-nitrophenyl)-phenylmethanone
CID 13265343

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-nitro-1-(1-oxo-1-phenylpropan-2-yl)pyridin-2-one?
The IUPAC name of 3-methyl-5-nitro-1-(1-oxo-1-phenylpropan-2-yl)pyridin-2-one (CID 84570206) is 3-methyl-5-nitro-1-(1-oxo-1-phenylpropan-2-yl)pyridin-2-one.
What is the SMILES notation for 3-methyl-5-nitro-1-(1-oxo-1-phenylpropan-2-yl)pyridin-2-one?
The canonical SMILES for 3-methyl-5-nitro-1-(1-oxo-1-phenylpropan-2-yl)pyridin-2-one is Cc1cc([N+](=O)[O-])cn(C(C)C(=O)c2ccccc2)c1=O.
What is the InChIKey of 3-methyl-5-nitro-1-(1-oxo-1-phenylpropan-2-yl)pyridin-2-one?
The InChIKey is JAWYXIVCPROQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-10-8-13(17(20)21)9-16(15(10)19)11(2)14(18)12-6-4-3-5-7-12/h3-9,11H,1-2H3.
What are the key properties of 3-methyl-5-nitro-1-(1-oxo-1-phenylpropan-2-yl)pyridin-2-one?
3-methyl-5-nitro-1-(1-oxo-1-phenylpropan-2-yl)pyridin-2-one has a molecular weight of 286.29 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-nitro-1-(1-oxo-1-phenylpropan-2-yl)pyridin-2-one is sourced from PubChem (CID 84570206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).