N-(4-anilinophenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide

C20H18N4O4 — CID 84572516

IUPACN-(4-anilinophenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide
SMILESCc1cc([N+](=O)[O-])cn(CC(=O)Nc2ccc(Nc3ccccc3)cc2)c1=O
InChIInChI=1S/C20H18N4O4/c1-14-11-18(24(27)28)12-23(20(14)26)13-19(25)22-17-9-7-16(8-10-17)21-15-5-3-2-4-6-15/h2-12,21H,13H2,1H3,(H,22,25)
InChIKeyQCLCJYGAOBFVSX-UHFFFAOYSA-N
MW378.39 g/mol
LogP3.45
Rot. Bonds6

About N-(4-anilinophenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide

N-(4-anilinophenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide (PubChem CID 84572516) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is N-(4-anilinophenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide
PubChem CID84572516
Molecular FormulaC20H18N4O4
Molecular Weight378.39 g/mol
Exact Mass378.13
IUPAC NameN-(4-anilinophenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide
SMILESCc1cc([N+](=O)[O-])cn(CC(=O)Nc2ccc(Nc3ccccc3)cc2)c1=O
InChIInChI=1S/C20H18N4O4/c1-14-11-18(24(27)28)12-23(20(14)26)13-19(25)22-17-9-7-16(8-10-17)21-15-5-3-2-4-6-15/h2-12,21H,13H2,1H3,(H,22,25)
InChIKeyQCLCJYGAOBFVSX-UHFFFAOYSA-N
XLogP3.45
TPSA106.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(4-tert-butylphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide
CID 84572524
2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)-N-naphthalen-1-ylacetamide
CID 84572307
N-(2,5-dimethylphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide
CID 84572317
N-(2,5-dimethoxyphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide
CID 84572305
ethyl 2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetate
CID 84570724
methyl 5-nitro-2-oxo-1-[2-oxo-2-(4-sulfamoylanilino)ethyl]pyridine-3-carboxylate
CID 55834843
2-(2-methyl-4-nitroimidazol-1-yl)-N-phenylacetamide
CID 42644444
4-[(3-methyl-5-nitro-2-oxo-1-pyridinyl)methyl]benzoic acid
CID 84570725
N-(4-bromophenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7890242
2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 8632294
N-(3-methylsulfanylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 18084983
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide
CID 84573147

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-(4-anilinophenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide (CID 84572516) is N-(4-anilinophenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-(4-anilinophenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-(4-anilinophenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide is Cc1cc([N+](=O)[O-])cn(CC(=O)Nc2ccc(Nc3ccccc3)cc2)c1=O.
What is the InChIKey of N-(4-anilinophenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide?
The InChIKey is QCLCJYGAOBFVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4/c1-14-11-18(24(27)28)12-23(20(14)26)13-19(25)22-17-9-7-16(8-10-17)21-15-5-3-2-4-6-15/h2-12,21H,13H2,1H3,(H,22,25).
What are the key properties of N-(4-anilinophenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide?
N-(4-anilinophenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide has a molecular weight of 378.39 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 84572516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).