N-(6-methoxy-2-methyl-3-pyridinyl)-2-(3-nitrophenyl)acetamide

C15H15N3O4 — CID 71919211

IUPACN-(6-methoxy-2-methyl-3-pyridinyl)-2-(3-nitrophenyl)acetamide
SMILESCOc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)c(C)n1
InChIInChI=1S/C15H15N3O4/c1-10-13(6-7-15(16-10)22-2)17-14(19)9-11-4-3-5-12(8-11)18(20)21/h3-8H,9H2,1-2H3,(H,17,19)
InChIKeyOJZKRCLRWSHPBR-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.49
Rot. Bonds5

About N-(6-methoxy-2-methyl-3-pyridinyl)-2-(3-nitrophenyl)acetamide

N-(6-methoxy-2-methyl-3-pyridinyl)-2-(3-nitrophenyl)acetamide (PubChem CID 71919211) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is N-(6-methoxy-2-methyl-3-pyridinyl)-2-(3-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(6-methoxy-2-methyl-3-pyridinyl)-2-(3-nitrophenyl)acetamide
PubChem CID71919211
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC NameN-(6-methoxy-2-methyl-3-pyridinyl)-2-(3-nitrophenyl)acetamide
SMILESCOc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)c(C)n1
InChIInChI=1S/C15H15N3O4/c1-10-13(6-7-15(16-10)22-2)17-14(19)9-11-4-3-5-12(8-11)18(20)21/h3-8H,9H2,1-2H3,(H,17,19)
InChIKeyOJZKRCLRWSHPBR-UHFFFAOYSA-N
XLogP2.49
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.49
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'}

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Related Compounds

2-(3-fluorophenyl)-N-(6-methoxy-2-methyl-3-pyridinyl)acetamide
CID 71919212
N-(2-bromo-4-methylphenyl)-2-(3-nitrophenyl)acetamide
CID 115648809
N-(2,5-dimethyl-4-pyridinyl)-2-(3-nitrophenyl)acetamide
CID 71912285
N-(2-hydroxy-4-nitrophenyl)-2-(3-methylphenyl)acetamide
CID 107745566
2-(3-bromophenyl)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 100698766
N-(2-hydroxy-5-nitrophenyl)-2-(3-methylphenyl)acetamide
CID 103863285
N-(2-amino-5-fluorophenyl)-2-(3-nitrophenyl)acetamide
CID 115736626
sodium 2-(3-nitrophenyl)acetate
CID 20571503
N-[(2-methylpropan-2-yl)oxy]-2-(3-nitrophenyl)acetamide
CID 90891975
N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-2-(3-nitrophenyl)acetamide
CID 122148357
N-(3-chloropyrazin-2-yl)-2-(3-nitrophenyl)acetamide
CID 102989201
N-(1H-imidazol-2-yl)-2-(3-nitrophenyl)acetamide
CID 112695684

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-2-methyl-3-pyridinyl)-2-(3-nitrophenyl)acetamide?
The IUPAC name of N-(6-methoxy-2-methyl-3-pyridinyl)-2-(3-nitrophenyl)acetamide (CID 71919211) is N-(6-methoxy-2-methyl-3-pyridinyl)-2-(3-nitrophenyl)acetamide.
What is the SMILES notation for N-(6-methoxy-2-methyl-3-pyridinyl)-2-(3-nitrophenyl)acetamide?
The canonical SMILES for N-(6-methoxy-2-methyl-3-pyridinyl)-2-(3-nitrophenyl)acetamide is COc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)c(C)n1.
What is the InChIKey of N-(6-methoxy-2-methyl-3-pyridinyl)-2-(3-nitrophenyl)acetamide?
The InChIKey is OJZKRCLRWSHPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-10-13(6-7-15(16-10)22-2)17-14(19)9-11-4-3-5-12(8-11)18(20)21/h3-8H,9H2,1-2H3,(H,17,19).
What are the key properties of N-(6-methoxy-2-methyl-3-pyridinyl)-2-(3-nitrophenyl)acetamide?
N-(6-methoxy-2-methyl-3-pyridinyl)-2-(3-nitrophenyl)acetamide has a molecular weight of 301.30 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-2-methyl-3-pyridinyl)-2-(3-nitrophenyl)acetamide is sourced from PubChem (CID 71919211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).