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

C17H19N3O6 — CID 84572510

IUPACN-(3,4-dimethoxyphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)n2cc([N+](=O)[O-])cc(C)c2=O)cc1OC
InChIInChI=1S/C17H19N3O6/c1-10-7-13(20(23)24)9-19(17(10)22)11(2)16(21)18-12-5-6-14(25-3)15(8-12)26-4/h5-9,11H,1-4H3,(H,18,21)
InChIKeyYIABVOBZOLKVJG-UHFFFAOYSA-N
MW361.35 g/mol
LogP2.28
Rot. Bonds6

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

N-(3,4-dimethoxyphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)propanamide (PubChem CID 84572510) has the molecular formula C17H19N3O6 and a molecular weight of 361.35 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)propanamide
PubChem CID84572510
Molecular FormulaC17H19N3O6
Molecular Weight361.35 g/mol
Exact Mass361.13
IUPAC NameN-(3,4-dimethoxyphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)n2cc([N+](=O)[O-])cc(C)c2=O)cc1OC
InChIInChI=1S/C17H19N3O6/c1-10-7-13(20(23)24)9-19(17(10)22)11(2)16(21)18-12-5-6-14(25-3)15(8-12)26-4/h5-9,11H,1-4H3,(H,18,21)
InChIKeyYIABVOBZOLKVJG-UHFFFAOYSA-N
XLogP2.28
TPSA112.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(4-methoxyphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)propanamide
CID 84572490
3-methyl-5-nitro-1-(3-oxobutan-2-yl)pyridin-2-one
CID 84570624
methyl 2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)butanoate
CID 84573279
(2R)-N-(4-methylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)propanamide
CID 7467783
(2S)-2-(2-chloro-4-nitrophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 8956878
methyl 2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)-2-phenylacetate
CID 84570450
2-bromo-N-(3,4-dimethoxyphenyl)propanamide
CID 25219542
N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide
CID 19528647
(2R)-N-(3-acetylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)propanamide
CID 7467767
[1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 5-nitrofuran-2-carboxylate
CID 55417910
N-(3,4-dimethoxyphenyl)-3-nitrobenzamide
CID 822743
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 8947242

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)propanamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)propanamide (CID 84572510) is N-(3,4-dimethoxyphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)propanamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)propanamide is COc1ccc(NC(=O)C(C)n2cc([N+](=O)[O-])cc(C)c2=O)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)propanamide?
The InChIKey is YIABVOBZOLKVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O6/c1-10-7-13(20(23)24)9-19(17(10)22)11(2)16(21)18-12-5-6-14(25-3)15(8-12)26-4/h5-9,11H,1-4H3,(H,18,21).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)propanamide?
N-(3,4-dimethoxyphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)propanamide has a molecular weight of 361.35 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 84572510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).