N-(4-methoxyphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)propanamide

C16H17N3O5 — CID 84572490

IUPACN-(4-methoxyphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)n2cc([N+](=O)[O-])cc(C)c2=O)cc1
InChIInChI=1S/C16H17N3O5/c1-10-8-13(19(22)23)9-18(16(10)21)11(2)15(20)17-12-4-6-14(24-3)7-5-12/h4-9,11H,1-3H3,(H,17,20)
InChIKeyZIYXYBZOTYKWNH-UHFFFAOYSA-N
MW331.33 g/mol
LogP2.27
Rot. Bonds5

About N-(4-methoxyphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)propanamide

N-(4-methoxyphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)propanamide (PubChem CID 84572490) has the molecular formula C16H17N3O5 and a molecular weight of 331.33 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)propanamide
PubChem CID84572490
Molecular FormulaC16H17N3O5
Molecular Weight331.33 g/mol
Exact Mass331.12
IUPAC NameN-(4-methoxyphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)n2cc([N+](=O)[O-])cc(C)c2=O)cc1
InChIInChI=1S/C16H17N3O5/c1-10-8-13(19(22)23)9-18(16(10)21)11(2)15(20)17-12-4-6-14(24-3)7-5-12/h4-9,11H,1-3H3,(H,17,20)
InChIKeyZIYXYBZOTYKWNH-UHFFFAOYSA-N
XLogP2.27
TPSA103.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-(3,4-dimethoxyphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)propanamide
CID 84572510
3-methyl-5-nitro-1-(3-oxobutan-2-yl)pyridin-2-one
CID 84570624
3-methyl-5-nitro-1-(1-oxo-1-phenylpropan-2-yl)pyridin-2-one
CID 84570206
(2R)-N-(4-methylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)propanamide
CID 7467783
(2R)-N-(4-methoxyphenyl)-2-(4-nitrophenyl)propanamide
CID 2111459
(2S)-N-(4-methoxyphenyl)-2-(4-nitrophenyl)propanamide
CID 2111458
methyl 2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)butanoate
CID 84573279
methyl 2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)-2-phenylacetate
CID 84570450
(2S)-2-(2-methoxy-5-nitrophenoxy)-N-(4-methoxyphenyl)propanamide
CID 8947121
[1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-amino-4-nitrobenzoate
CID 55420626
[1-(4-methoxyanilino)-1-oxopropan-2-yl] 4-methyl-3,5-dinitrobenzoate
CID 4570787
1-(4-methoxyphenyl)-3-(4-nitrophenyl)thiourea
CID 13237599

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)propanamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)propanamide (CID 84572490) is N-(4-methoxyphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)propanamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)propanamide is COc1ccc(NC(=O)C(C)n2cc([N+](=O)[O-])cc(C)c2=O)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)propanamide?
The InChIKey is ZIYXYBZOTYKWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5/c1-10-8-13(19(22)23)9-18(16(10)21)11(2)15(20)17-12-4-6-14(24-3)7-5-12/h4-9,11H,1-3H3,(H,17,20).
What are the key properties of N-(4-methoxyphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)propanamide?
N-(4-methoxyphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)propanamide has a molecular weight of 331.33 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 84572490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).