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

C22H22N4O3 — CID 133407596

IUPAC2-[(5-nitro-6-phenyl-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)c(C)c1
InChIInChI=1S/C22H22N4O3/c1-14-11-15(2)21(16(3)12-14)25-20(27)13-23-19-10-9-18(26(28)29)22(24-19)17-7-5-4-6-8-17/h4-12H,13H2,1-3H3,(H,23,24)(H,25,27)
InChIKeyNQRDXIUDGRVACF-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.63
Rot. Bonds6

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

2-[(5-nitro-6-phenyl-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 133407596) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-[(5-nitro-6-phenyl-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-nitro-6-phenyl-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID133407596
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name2-[(5-nitro-6-phenyl-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)c(C)c1
InChIInChI=1S/C22H22N4O3/c1-14-11-15(2)21(16(3)12-14)25-20(27)13-23-19-10-9-18(26(28)29)22(24-19)17-7-5-4-6-8-17/h4-12H,13H2,1-3H3,(H,23,24)(H,25,27)
InChIKeyNQRDXIUDGRVACF-UHFFFAOYSA-N
XLogP4.63
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.63
H-Bond Donors ≤ 52
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-[(5-nitro-6-phenyl-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)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-[(5-nitro-6-phenyl-2-pyridinyl)amino]ethyl]acetamide
CID 133407553
N-methyl-3-[[(5-nitro-6-phenyl-2-pyridinyl)amino]methyl]benzamide
CID 133409032
1-[4-[2-[(5-nitro-6-phenyl-2-pyridinyl)amino]ethyl]piperazin-1-yl]ethanone
CID 133409481
4-(methylamino)-3-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 27782813
N-(2-chloro-4,6-dinitrophenyl)-2-[(6-methyl-4-phenylquinazolin-2-yl)amino]acetamide
CID 4729173
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-nitro-6-phenylpyridin-2-amine
CID 133459077
5-methoxy-2-nitro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 47847319
2-(4-phenylphenyl)-N-(2,4,6-trimethylphenyl)acetamide
CID 8760031
N-(2,4-dimethyl-6-nitrophenyl)propanamide
CID 66522913
4-[[(5-nitro-6-phenyl-2-pyridinyl)amino]methyl]benzenesulfonamide
CID 133407312
2-(2-nitrophenyl)sulfanyl-N-(2,4,6-trimethyl-3-pyridinyl)acetamide
CID 75476904
2-[2-(2,4-dimethyl-6-nitroanilino)-2-oxoethyl]sulfanylbenzoate
CID 7335676

Frequently Asked Questions

What is the IUPAC name of 2-[(5-nitro-6-phenyl-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[(5-nitro-6-phenyl-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide (CID 133407596) is 2-[(5-nitro-6-phenyl-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[(5-nitro-6-phenyl-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[(5-nitro-6-phenyl-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)c(C)c1.
What is the InChIKey of 2-[(5-nitro-6-phenyl-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is NQRDXIUDGRVACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-14-11-15(2)21(16(3)12-14)25-20(27)13-23-19-10-9-18(26(28)29)22(24-19)17-7-5-4-6-8-17/h4-12H,13H2,1-3H3,(H,23,24)(H,25,27).
What are the key properties of 2-[(5-nitro-6-phenyl-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide?
2-[(5-nitro-6-phenyl-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 390.44 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-nitro-6-phenyl-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 133407596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).