N-(4-methoxy-2-nitrophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide

C15H16N3O4+ — CID 8827015

IUPACN-(4-methoxy-2-nitrophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide
SMILESCOc1ccc(NC(=O)C[n+]2ccc(C)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H15N3O4/c1-11-5-7-17(8-6-11)10-15(19)16-13-4-3-12(22-2)9-14(13)18(20)21/h3-9H,10H2,1-2H3/p+1
InChIKeyOHEZNZMIECTFPW-UHFFFAOYSA-O
MW302.31 g/mol
LogP1.84
Rot. Bonds5

About N-(4-methoxy-2-nitrophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide

N-(4-methoxy-2-nitrophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide (PubChem CID 8827015) has the molecular formula C15H16N3O4+ and a molecular weight of 302.31 g/mol. Its IUPAC name is N-(4-methoxy-2-nitrophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-methoxy-2-nitrophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide
PubChem CID8827015
Molecular FormulaC15H16N3O4+
Molecular Weight302.31 g/mol
Exact Mass302.11
IUPAC NameN-(4-methoxy-2-nitrophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide
SMILESCOc1ccc(NC(=O)C[n+]2ccc(C)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H15N3O4/c1-11-5-7-17(8-6-11)10-15(19)16-13-4-3-12(22-2)9-14(13)18(20)21/h3-9H,10H2,1-2H3/p+1
InChIKeyOHEZNZMIECTFPW-UHFFFAOYSA-O
XLogP1.84
TPSA85.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-(4-methoxy-2-nitrophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide 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

N-(4-methoxy-2-nitrophenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide
CID 8876109
N-(4-methoxy-2-nitrophenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 108807672
N-(4-methoxy-2-nitrophenyl)-2-nitrosoacetamide
CID 90848222
2-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8729454
3-[3-(4-methoxy-2-nitroanilino)-3-oxopropyl]sulfanyl-N-(4-methoxy-2-nitrophenyl)propanamide
CID 5142693
N-(4-methoxy-2-nitrophenyl)-2-phenylacetamide
CID 3101369
N-(4-methoxy-2-nitrophenyl)-3-(5-methylfuran-2-yl)propanamide
CID 16648625
4-hydroxy-N-(4-methoxy-2-nitrophenyl)pentanamide
CID 79204847
3-amino-N-(4-methoxy-2-nitrophenyl)butanamide
CID 60835998
3-ethoxy-N-(4-methoxy-2-nitrophenyl)propanamide
CID 2975661
2-(azocan-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 51170949
N-(4-methoxy-2-nitrophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78915263

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-nitrophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide?
The IUPAC name of N-(4-methoxy-2-nitrophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide (CID 8827015) is N-(4-methoxy-2-nitrophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-(4-methoxy-2-nitrophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide?
The canonical SMILES for N-(4-methoxy-2-nitrophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide is COc1ccc(NC(=O)C[n+]2ccc(C)cc2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-methoxy-2-nitrophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide?
The InChIKey is OHEZNZMIECTFPW-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H15N3O4/c1-11-5-7-17(8-6-11)10-15(19)16-13-4-3-12(22-2)9-14(13)18(20)21/h3-9H,10H2,1-2H3/p+1.
What are the key properties of N-(4-methoxy-2-nitrophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide?
N-(4-methoxy-2-nitrophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide has a molecular weight of 302.31 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-nitrophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide is sourced from PubChem (CID 8827015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).