N-benzyl-N-[2-(4-methoxyanilino)-2-oxo-1-pyridin-2-ylethyl]-2,4,6-trimethylbenzamide

C31H31N3O3 — CID 166334118

IUPACN-benzyl-N-[2-(4-methoxyanilino)-2-oxo-1-pyridin-2-ylethyl]-2,4,6-trimethylbenzamide
SMILESCOc1ccc(NC(=O)C(c2ccccn2)N(Cc2ccccc2)C(=O)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C31H31N3O3/c1-21-18-22(2)28(23(3)19-21)31(36)34(20-24-10-6-5-7-11-24)29(27-12-8-9-17-32-27)30(35)33-25-13-15-26(37-4)16-14-25/h5-19,29H,20H2,1-4H3,(H,33,35)
InChIKeyJQLQPORUUFNRFL-UHFFFAOYSA-N
MW493.61 g/mol
LogP6.04
Rot. Bonds8

About N-benzyl-N-[2-(4-methoxyanilino)-2-oxo-1-pyridin-2-ylethyl]-2,4,6-trimethylbenzamide

N-benzyl-N-[2-(4-methoxyanilino)-2-oxo-1-pyridin-2-ylethyl]-2,4,6-trimethylbenzamide (PubChem CID 166334118) has the molecular formula C31H31N3O3 and a molecular weight of 493.61 g/mol. Its IUPAC name is N-benzyl-N-[2-(4-methoxyanilino)-2-oxo-1-pyridin-2-ylethyl]-2,4,6-trimethylbenzamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(4-methoxyanilino)-2-oxo-1-pyridin-2-ylethyl]-2,4,6-trimethylbenzamide
PubChem CID166334118
Molecular FormulaC31H31N3O3
Molecular Weight493.61 g/mol
Exact Mass493.24
IUPAC NameN-benzyl-N-[2-(4-methoxyanilino)-2-oxo-1-pyridin-2-ylethyl]-2,4,6-trimethylbenzamide
SMILESCOc1ccc(NC(=O)C(c2ccccn2)N(Cc2ccccc2)C(=O)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C31H31N3O3/c1-21-18-22(2)28(23(3)19-21)31(36)34(20-24-10-6-5-7-11-24)29(27-12-8-9-17-32-27)30(35)33-25-13-15-26(37-4)16-14-25/h5-19,29H,20H2,1-4H3,(H,33,35)
InChIKeyJQLQPORUUFNRFL-UHFFFAOYSA-N
XLogP6.04
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.61
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-N-[2-(4-methoxyanilino)-2-oxo-1-pyridin-2-ylethyl]-2,4,6-trimethylbenzamide with MolForge

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Related Compounds

N-benzyl-2,4,6-trimethyl-N-[2-(methylamino)-2-oxo-1-pyridin-2-ylethyl]benzamide
CID 166334127
N-benzyl-N-[2-(butylamino)-2-oxo-1-pyridin-2-ylethyl]-4-methoxybenzamide
CID 166334131
N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-(4-methylphenyl)acetamide
CID 43820811
N-(4-methoxyphenyl)-2-(4-methylphenyl)-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide
CID 43820764
N-(4-methoxyphenyl)-2-phenyl-2-pyridin-2-ylacetamide
CID 110373398
N-[(1R)-2-(4-fluoroanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide
CID 1435515
N-(4-methoxyphenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]acetamide
CID 81393069
2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide
CID 133238795
2-(4-chlorophenyl)-N-(4-methoxyphenyl)-2-[(2-phenylacetyl)-(pyridin-3-ylmethyl)amino]acetamide
CID 43820847
N-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-2-pyridin-2-ylacetamide
CID 110373640
N-benzyl-N-[(1S)-2-(4-fluoroanilino)-1-(4-methylphenyl)-2-oxoethyl]pyrazine-2-carboxamide
CID 1435482
N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-2-pyridin-2-ylacetamide
CID 110373688

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(4-methoxyanilino)-2-oxo-1-pyridin-2-ylethyl]-2,4,6-trimethylbenzamide?
The IUPAC name of N-benzyl-N-[2-(4-methoxyanilino)-2-oxo-1-pyridin-2-ylethyl]-2,4,6-trimethylbenzamide (CID 166334118) is N-benzyl-N-[2-(4-methoxyanilino)-2-oxo-1-pyridin-2-ylethyl]-2,4,6-trimethylbenzamide.
What is the SMILES notation for N-benzyl-N-[2-(4-methoxyanilino)-2-oxo-1-pyridin-2-ylethyl]-2,4,6-trimethylbenzamide?
The canonical SMILES for N-benzyl-N-[2-(4-methoxyanilino)-2-oxo-1-pyridin-2-ylethyl]-2,4,6-trimethylbenzamide is COc1ccc(NC(=O)C(c2ccccn2)N(Cc2ccccc2)C(=O)c2c(C)cc(C)cc2C)cc1.
What is the InChIKey of N-benzyl-N-[2-(4-methoxyanilino)-2-oxo-1-pyridin-2-ylethyl]-2,4,6-trimethylbenzamide?
The InChIKey is JQLQPORUUFNRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N3O3/c1-21-18-22(2)28(23(3)19-21)31(36)34(20-24-10-6-5-7-11-24)29(27-12-8-9-17-32-27)30(35)33-25-13-15-26(37-4)16-14-25/h5-19,29H,20H2,1-4H3,(H,33,35).
What are the key properties of N-benzyl-N-[2-(4-methoxyanilino)-2-oxo-1-pyridin-2-ylethyl]-2,4,6-trimethylbenzamide?
N-benzyl-N-[2-(4-methoxyanilino)-2-oxo-1-pyridin-2-ylethyl]-2,4,6-trimethylbenzamide has a molecular weight of 493.61 g/mol, XLogP of 6.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(4-methoxyanilino)-2-oxo-1-pyridin-2-ylethyl]-2,4,6-trimethylbenzamide is sourced from PubChem (CID 166334118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).