2-[methyl-(3-nitro-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide

C17H20N4O3 — CID 9196076

IUPAC2-[methyl-(3-nitro-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)c2ncccc2[N+](=O)[O-])c(C)c1
InChIInChI=1S/C17H20N4O3/c1-11-8-12(2)16(13(3)9-11)19-15(22)10-20(4)17-14(21(23)24)6-5-7-18-17/h5-9H,10H2,1-4H3,(H,19,22)
InChIKeyLQSGXDXLWFIGLK-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.99
Rot. Bonds5

About 2-[methyl-(3-nitro-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide

2-[methyl-(3-nitro-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 9196076) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-[methyl-(3-nitro-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-(3-nitro-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID9196076
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name2-[methyl-(3-nitro-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)c2ncccc2[N+](=O)[O-])c(C)c1
InChIInChI=1S/C17H20N4O3/c1-11-8-12(2)16(13(3)9-11)19-15(22)10-20(4)17-14(21(23)24)6-5-7-18-17/h5-9H,10H2,1-4H3,(H,19,22)
InChIKeyLQSGXDXLWFIGLK-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

N-(2-ethylphenyl)-2-[methyl-(3-nitro-2-pyridinyl)amino]acetamide
CID 9195857
2-(4-chloro-N-methyl-2-nitroanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 9185746
2-[methyl-(5-nitro-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 30640551
2-(2-chloro-N-methyl-4-nitroanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 9185774
3-nitro-N-(2,4,6-trimethylphenyl)pyridin-2-amine
CID 23279474
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]pyridine-4-carboxamide
CID 75377260
3-hydroxy-N-methyl-4-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 17412374
N,N,N'-trimethyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 133356104
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(4-nitrophenyl)acetamide
CID 9339457
N-(2,6-dimethylphenyl)-2-[methyl-(3-nitropyridin-1-ium-2-yl)amino]acetamide
CID 9195246
2-(dimethylamino)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide
CID 110299276
2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 26217769

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(3-nitro-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[methyl-(3-nitro-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide (CID 9196076) is 2-[methyl-(3-nitro-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[methyl-(3-nitro-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[methyl-(3-nitro-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CN(C)c2ncccc2[N+](=O)[O-])c(C)c1.
What is the InChIKey of 2-[methyl-(3-nitro-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is LQSGXDXLWFIGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-11-8-12(2)16(13(3)9-11)19-15(22)10-20(4)17-14(21(23)24)6-5-7-18-17/h5-9H,10H2,1-4H3,(H,19,22).
What are the key properties of 2-[methyl-(3-nitro-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide?
2-[methyl-(3-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-(3-nitro-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 9196076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).