N-[(2,5-dimethylphenyl)methyl]-2-[3-[(4-methoxyphenyl)carbamoylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide

C25H28N4O4 — CID 53161410

IUPACN-[(2,5-dimethylphenyl)methyl]-2-[3-[(4-methoxyphenyl)carbamoylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide
SMILESCOc1ccc(NC(=O)Nc2ccc(C)n(CC(=O)NCc3cc(C)ccc3C)c2=O)cc1
InChIInChI=1S/C25H28N4O4/c1-16-5-6-17(2)19(13-16)14-26-23(30)15-29-18(3)7-12-22(24(29)31)28-25(32)27-20-8-10-21(33-4)11-9-20/h5-13H,14-15H2,1-4H3,(H,26,30)(H2,27,28,32)
InChIKeyHDKXMSOUVCYLGF-UHFFFAOYSA-N
MW448.52 g/mol
LogP3.74
Rot. Bonds7

About N-[(2,5-dimethylphenyl)methyl]-2-[3-[(4-methoxyphenyl)carbamoylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide

N-[(2,5-dimethylphenyl)methyl]-2-[3-[(4-methoxyphenyl)carbamoylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide (PubChem CID 53161410) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)methyl]-2-[3-[(4-methoxyphenyl)carbamoylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)methyl]-2-[3-[(4-methoxyphenyl)carbamoylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide
PubChem CID53161410
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC NameN-[(2,5-dimethylphenyl)methyl]-2-[3-[(4-methoxyphenyl)carbamoylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide
SMILESCOc1ccc(NC(=O)Nc2ccc(C)n(CC(=O)NCc3cc(C)ccc3C)c2=O)cc1
InChIInChI=1S/C25H28N4O4/c1-16-5-6-17(2)19(13-16)14-26-23(30)15-29-18(3)7-12-22(24(29)31)28-25(32)27-20-8-10-21(33-4)11-9-20/h5-13H,14-15H2,1-4H3,(H,26,30)(H2,27,28,32)
InChIKeyHDKXMSOUVCYLGF-UHFFFAOYSA-N
XLogP3.74
TPSA101.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-acetamido-6-methyl-2-oxo-1-pyridinyl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 87050347
2-[6-methyl-3-[(3-methylphenyl)carbamoylamino]-2-oxo-1-pyridinyl]-N-phenylacetamide
CID 87050622
1-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methyl]-3-(4-methoxyphenyl)urea
CID 20951259
N-benzyl-2-[3-[(4-methoxyphenyl)sulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide
CID 53161501
N-[6-methyl-1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]butanamide
CID 87050459
N-[6-methyl-1-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]propanamide
CID 87050383
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(4-methoxyphenyl)acetamide
CID 108794896
2-[3-(4-methoxyphenyl)sulfonyl-4,6-dimethyl-2-oxo-1-pyridinyl]-N-(4-methylphenyl)acetamide
CID 53024289
N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]-2-(2,5-dimethylphenyl)acetamide
CID 92672071
1-(2,4-dimethylphenyl)-3-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methyl]urea
CID 20928452
1-(2,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108901898
N-[(3-chlorophenyl)methyl]-2-[6-methyl-3-(methylcarbamoylamino)-2-oxo-1-pyridinyl]acetamide
CID 87050577

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenyl)methyl]-2-[3-[(4-methoxyphenyl)carbamoylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-[(2,5-dimethylphenyl)methyl]-2-[3-[(4-methoxyphenyl)carbamoylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide (CID 53161410) is N-[(2,5-dimethylphenyl)methyl]-2-[3-[(4-methoxyphenyl)carbamoylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-[(2,5-dimethylphenyl)methyl]-2-[3-[(4-methoxyphenyl)carbamoylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-[(2,5-dimethylphenyl)methyl]-2-[3-[(4-methoxyphenyl)carbamoylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide is COc1ccc(NC(=O)Nc2ccc(C)n(CC(=O)NCc3cc(C)ccc3C)c2=O)cc1.
What is the InChIKey of N-[(2,5-dimethylphenyl)methyl]-2-[3-[(4-methoxyphenyl)carbamoylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide?
The InChIKey is HDKXMSOUVCYLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-16-5-6-17(2)19(13-16)14-26-23(30)15-29-18(3)7-12-22(24(29)31)28-25(32)27-20-8-10-21(33-4)11-9-20/h5-13H,14-15H2,1-4H3,(H,26,30)(H2,27,28,32).
What are the key properties of N-[(2,5-dimethylphenyl)methyl]-2-[3-[(4-methoxyphenyl)carbamoylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide?
N-[(2,5-dimethylphenyl)methyl]-2-[3-[(4-methoxyphenyl)carbamoylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide has a molecular weight of 448.52 g/mol, XLogP of 3.74, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylphenyl)methyl]-2-[3-[(4-methoxyphenyl)carbamoylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 53161410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).