2-[methyl-(5-nitro-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide

C17H20N4O3 — CID 30640551

IUPAC2-[methyl-(5-nitro-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)c2ccc([N+](=O)[O-])cn2)c(C)c1
InChIInChI=1S/C17H20N4O3/c1-11-7-12(2)17(13(3)8-11)19-16(22)10-20(4)15-6-5-14(9-18-15)21(23)24/h5-9H,10H2,1-4H3,(H,19,22)
InChIKeyXAYWABQBWQZQDP-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.99
Rot. Bonds5

About 2-[methyl-(5-nitro-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide

2-[methyl-(5-nitro-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 30640551) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-[methyl-(5-nitro-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-(5-nitro-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID30640551
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name2-[methyl-(5-nitro-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)c2ccc([N+](=O)[O-])cn2)c(C)c1
InChIInChI=1S/C17H20N4O3/c1-11-7-12(2)17(13(3)8-11)19-16(22)10-20(4)15-6-5-14(9-18-15)21(23)24/h5-9H,10H2,1-4H3,(H,19,22)
InChIKeyXAYWABQBWQZQDP-UHFFFAOYSA-N
XLogP2.99
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.99
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-(2-chloro-N-methyl-4-nitroanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 9185774
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(4-nitrophenyl)acetamide
CID 9339457
N-(3,4-diethoxyphenyl)-2-[methyl-(5-nitro-2-pyridinyl)amino]acetamide
CID 32679270
6-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-propylpyridine-3-carboxamide
CID 133359145
2-[methyl-(3-nitro-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 9196076
2-[methyl-(5-nitro-2-pyridinyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 32679368
2-(4-chloro-N-methyl-2-nitroanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 9185746
2-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 137269939
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]pyridine-4-carboxamide
CID 75377260
2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 26217769
2-[[5-(diethylsulfamoyl)-2-pyridinyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 9195255
2-(4-nitrophenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 26714074

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(5-nitro-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[methyl-(5-nitro-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide (CID 30640551) is 2-[methyl-(5-nitro-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[methyl-(5-nitro-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[methyl-(5-nitro-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CN(C)c2ccc([N+](=O)[O-])cn2)c(C)c1.
What is the InChIKey of 2-[methyl-(5-nitro-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is XAYWABQBWQZQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-11-7-12(2)17(13(3)8-11)19-16(22)10-20(4)15-6-5-14(9-18-15)21(23)24/h5-9H,10H2,1-4H3,(H,19,22).
What are the key properties of 2-[methyl-(5-nitro-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide?
2-[methyl-(5-nitro-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 328.37 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(5-nitro-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 30640551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).