N-(3,4-diethoxyphenyl)-2-[methyl-(5-nitro-2-pyridinyl)amino]acetamide

C18H22N4O5 — CID 32679270

IUPACN-(3,4-diethoxyphenyl)-2-[methyl-(5-nitro-2-pyridinyl)amino]acetamide
SMILESCCOc1ccc(NC(=O)CN(C)c2ccc([N+](=O)[O-])cn2)cc1OCC
InChIInChI=1S/C18H22N4O5/c1-4-26-15-8-6-13(10-16(15)27-5-2)20-18(23)12-21(3)17-9-7-14(11-19-17)22(24)25/h6-11H,4-5,12H2,1-3H3,(H,20,23)
InChIKeyLGBSJAXQBQIYLJ-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.86
Rot. Bonds9

About N-(3,4-diethoxyphenyl)-2-[methyl-(5-nitro-2-pyridinyl)amino]acetamide

N-(3,4-diethoxyphenyl)-2-[methyl-(5-nitro-2-pyridinyl)amino]acetamide (PubChem CID 32679270) has the molecular formula C18H22N4O5 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-(3,4-diethoxyphenyl)-2-[methyl-(5-nitro-2-pyridinyl)amino]acetamide.

Molecular Properties

Compound NameN-(3,4-diethoxyphenyl)-2-[methyl-(5-nitro-2-pyridinyl)amino]acetamide
PubChem CID32679270
Molecular FormulaC18H22N4O5
Molecular Weight374.40 g/mol
Exact Mass374.16
IUPAC NameN-(3,4-diethoxyphenyl)-2-[methyl-(5-nitro-2-pyridinyl)amino]acetamide
SMILESCCOc1ccc(NC(=O)CN(C)c2ccc([N+](=O)[O-])cn2)cc1OCC
InChIInChI=1S/C18H22N4O5/c1-4-26-15-8-6-13(10-16(15)27-5-2)20-18(23)12-21(3)17-9-7-14(11-19-17)22(24)25/h6-11H,4-5,12H2,1-3H3,(H,20,23)
InChIKeyLGBSJAXQBQIYLJ-UHFFFAOYSA-N
XLogP2.86
TPSA106.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.86
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'}

Analyze N-(3,4-diethoxyphenyl)-2-[methyl-(5-nitro-2-pyridinyl)amino]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

2-[methyl-(5-nitro-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 30640551
2-[methyl-(5-nitro-2-pyridinyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 32679368
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(methylamino)-5-nitrobenzoate
CID 7752196
N-(3,4-diethoxyphenyl)-2-[[2-(3,4-difluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 2658514
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylhexanamide
CID 43007494
2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119912469
N-(3,4-diethoxyphenyl)-2-sulfanylacetamide
CID 60650095
2-(3-ethoxy-N-methyl-4-nitroanilino)-N-(4-methylphenyl)acetamide
CID 133424491
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide
CID 25162519
N-(3,4-diethoxyphenyl)acetamide
CID 13120229
N-(3,4-diethoxyphenyl)-2-(methylamino)acetamide
CID 2452186
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 24978698

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diethoxyphenyl)-2-[methyl-(5-nitro-2-pyridinyl)amino]acetamide?
The IUPAC name of N-(3,4-diethoxyphenyl)-2-[methyl-(5-nitro-2-pyridinyl)amino]acetamide (CID 32679270) is N-(3,4-diethoxyphenyl)-2-[methyl-(5-nitro-2-pyridinyl)amino]acetamide.
What is the SMILES notation for N-(3,4-diethoxyphenyl)-2-[methyl-(5-nitro-2-pyridinyl)amino]acetamide?
The canonical SMILES for N-(3,4-diethoxyphenyl)-2-[methyl-(5-nitro-2-pyridinyl)amino]acetamide is CCOc1ccc(NC(=O)CN(C)c2ccc([N+](=O)[O-])cn2)cc1OCC.
What is the InChIKey of N-(3,4-diethoxyphenyl)-2-[methyl-(5-nitro-2-pyridinyl)amino]acetamide?
The InChIKey is LGBSJAXQBQIYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O5/c1-4-26-15-8-6-13(10-16(15)27-5-2)20-18(23)12-21(3)17-9-7-14(11-19-17)22(24)25/h6-11H,4-5,12H2,1-3H3,(H,20,23).
What are the key properties of N-(3,4-diethoxyphenyl)-2-[methyl-(5-nitro-2-pyridinyl)amino]acetamide?
N-(3,4-diethoxyphenyl)-2-[methyl-(5-nitro-2-pyridinyl)amino]acetamide has a molecular weight of 374.40 g/mol, XLogP of 2.86, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diethoxyphenyl)-2-[methyl-(5-nitro-2-pyridinyl)amino]acetamide is sourced from PubChem (CID 32679270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).