N-[(4-acetamidophenyl)methyl]-N'-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]oxamide

C24H24N4O4 — CID 167814290

IUPACN-[(4-acetamidophenyl)methyl]-N'-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]oxamide
SMILESCC(=O)Nc1ccc(CNC(=O)C(=O)Nc2cccn(Cc3ccc(C)cc3)c2=O)cc1
InChIInChI=1S/C24H24N4O4/c1-16-5-7-19(8-6-16)15-28-13-3-4-21(24(28)32)27-23(31)22(30)25-14-18-9-11-20(12-10-18)26-17(2)29/h3-13H,14-15H2,1-2H3,(H,25,30)(H,26,29)(H,27,31)
InChIKeyABFMCPPBQIWZIO-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.42
Rot. Bonds6

About N-[(4-acetamidophenyl)methyl]-N'-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]oxamide

N-[(4-acetamidophenyl)methyl]-N'-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]oxamide (PubChem CID 167814290) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)methyl]-N'-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]oxamide.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)methyl]-N'-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]oxamide
PubChem CID167814290
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC NameN-[(4-acetamidophenyl)methyl]-N'-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]oxamide
SMILESCC(=O)Nc1ccc(CNC(=O)C(=O)Nc2cccn(Cc3ccc(C)cc3)c2=O)cc1
InChIInChI=1S/C24H24N4O4/c1-16-5-7-19(8-6-16)15-28-13-3-4-21(24(28)32)27-23(31)22(30)25-14-18-9-11-20(12-10-18)26-17(2)29/h3-13H,14-15H2,1-2H3,(H,25,30)(H,26,29)(H,27,31)
InChIKeyABFMCPPBQIWZIO-UHFFFAOYSA-N
XLogP2.42
TPSA109.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

cis-(1S,3R)-2,2-dimethyl-3-[[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 122066426
N-[1-[(3,4-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]acetamide
CID 1483036
1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(4-methylphenyl)urea
CID 52947935
N-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7598726
N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]-2-(tetrazol-1-yl)acetamide
CID 75432089
N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]pyrazine-2-carboxamide
CID 71910292
N,N'-bis[(4-methylphenyl)methyl]oxamide
CID 3116969
1-(3-cyanophenyl)-3-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]urea
CID 1450101
N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]methanesulfonamide
CID 6488641
2-(4-benzyl-2,3-dioxopyrazin-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 6625783
1-[(4-methylphenyl)methyl]-2-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 7422772
3-(2-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]butanamide
CID 154780300

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)methyl]-N'-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]oxamide?
The IUPAC name of N-[(4-acetamidophenyl)methyl]-N'-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]oxamide (CID 167814290) is N-[(4-acetamidophenyl)methyl]-N'-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]oxamide.
What is the SMILES notation for N-[(4-acetamidophenyl)methyl]-N'-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]oxamide?
The canonical SMILES for N-[(4-acetamidophenyl)methyl]-N'-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]oxamide is CC(=O)Nc1ccc(CNC(=O)C(=O)Nc2cccn(Cc3ccc(C)cc3)c2=O)cc1.
What is the InChIKey of N-[(4-acetamidophenyl)methyl]-N'-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]oxamide?
The InChIKey is ABFMCPPBQIWZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-16-5-7-19(8-6-16)15-28-13-3-4-21(24(28)32)27-23(31)22(30)25-14-18-9-11-20(12-10-18)26-17(2)29/h3-13H,14-15H2,1-2H3,(H,25,30)(H,26,29)(H,27,31).
What are the key properties of N-[(4-acetamidophenyl)methyl]-N'-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]oxamide?
N-[(4-acetamidophenyl)methyl]-N'-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]oxamide has a molecular weight of 432.48 g/mol, XLogP of 2.42, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetamidophenyl)methyl]-N'-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]oxamide is sourced from PubChem (CID 167814290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).