2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(2-methylpropyl)acetamide

C12H17N3O4 — CID 4007812

IUPAC2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(2-methylpropyl)acetamide
SMILESCc1ccc(OCC(=O)NCC(C)C)c([N+](=O)[O-])n1
InChIInChI=1S/C12H17N3O4/c1-8(2)6-13-11(16)7-19-10-5-4-9(3)14-12(10)15(17)18/h4-5,8H,6-7H2,1-3H3,(H,13,16)
InChIKeyWZNIILDQCNMOPX-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.45
Rot. Bonds6

About 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(2-methylpropyl)acetamide

2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(2-methylpropyl)acetamide (PubChem CID 4007812) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(2-methylpropyl)acetamide
PubChem CID4007812
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(2-methylpropyl)acetamide
SMILESCc1ccc(OCC(=O)NCC(C)C)c([N+](=O)[O-])n1
InChIInChI=1S/C12H17N3O4/c1-8(2)6-13-11(16)7-19-10-5-4-9(3)14-12(10)15(17)18/h4-5,8H,6-7H2,1-3H3,(H,13,16)
InChIKeyWZNIILDQCNMOPX-UHFFFAOYSA-N
XLogP1.45
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.45
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'}

Analyze 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(2-methylpropyl)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-(2-methylpropyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 3895625
6-methyl-3-[2-(2-methylpropylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 79158684
2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-pentan-2-ylacetamide
CID 3882767
N-[2-(4-fluorophenyl)ethyl]-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
CID 4963446
2-[[2-(2-aminoethyl)-6-methyl-3-pyridinyl]oxy]-N-(2-methylpropyl)acetamide
CID 79169482
2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]-N-(2-methylpropyl)acetamide
CID 79151664
2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(2,4,5-trichlorophenyl)acetamide
CID 4587350
N-[4-(dimethylamino)phenyl]-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
CID 3969167
N-(2,5-dimethylphenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
CID 4788672
N-(3-chloro-4-methoxyphenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
CID 4817365
N-(3-methoxyphenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
CID 4818074
2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-1-(2,4,5-trimethylphenyl)ethanone
CID 4039175

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(2-methylpropyl)acetamide (CID 4007812) is 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(2-methylpropyl)acetamide is Cc1ccc(OCC(=O)NCC(C)C)c([N+](=O)[O-])n1.
What is the InChIKey of 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(2-methylpropyl)acetamide?
The InChIKey is WZNIILDQCNMOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-8(2)6-13-11(16)7-19-10-5-4-9(3)14-12(10)15(17)18/h4-5,8H,6-7H2,1-3H3,(H,13,16).
What are the key properties of 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(2-methylpropyl)acetamide?
2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(2-methylpropyl)acetamide has a molecular weight of 267.28 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 4007812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).