2-[N-[(4-acetylphenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide;2-[N-[(2-chlorophenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide;2-[N-[(4-chlorophenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide;2-[2,5-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]anilino]-N-pyridin-3-ylacetamide;2-[N-[(2-isocyanophenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide

C116H120Cl2N16O6 — CID 161154550

About 2-[N-[(4-acetylphenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide;2-[N-[(2-chlorophenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide;2-[N-[(4-chlorophenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide;2-[2,5-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]anilino]-N-pyridin-3-ylacetamide;2-[N-[(2-isocyanophenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide

2-[N-[(4-acetylphenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide;2-[N-[(2-chlorophenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide;2-[N-[(4-chlorophenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide;2-[2,5-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]anilino]-N-pyridin-3-ylacetamide;2-[N-[(2-isocyanophenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide (PubChem CID 161154550) has the molecular formula C116H120Cl2N16O6 and a molecular weight of 1905.25 g/mol. Its IUPAC name is 2-[N-[(4-acetylphenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide;2-[N-[(2-chlorophenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide;2-[N-[(4-chlorophenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide;2-[2,5-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]anilino]-N-pyridin-3-ylacetamide;2-[N-[(2-isocyanophenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide.

Molecular Properties

• Compound Name: 2-[N-[(4-acetylphenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide;2-[N-[(2-chlorophenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide;2-[N-[(4-chlorophenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide;2-[2,5-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]anilino]-N-pyridin-3-ylacetamide;2-[N-[(2-isocyanophenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide
• PubChem CID: 161154550
• Molecular Formula: C116H120Cl2N16O6
• Molecular Weight: 1905.25 g/mol
• Exact Mass: 1902.90
• IUPAC Name: 2-[N-[(4-acetylphenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide;2-[N-[(2-chlorophenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide;2-[N-[(4-chlorophenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide;2-[2,5-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]anilino]-N-pyridin-3-ylacetamide;2-[N-[(2-isocyanophenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide
• SMILES: CC(=O)c1ccc(CN(CC(=O)Nc2cccnc2)c2cc(C)ccc2C)cc1.Cc1cc(C)c(CN(CC(=O)Nc2cccnc2)c2cc(C)ccc2C)c(C)c1.Cc1ccc(C)c(N(CC(=O)Nc2cccnc2)Cc2ccc(Cl)cc2)c1.Cc1ccc(C)c(N(CC(=O)Nc2cccnc2)Cc2ccccc2Cl)c1.[C-]#[N+]c1ccccc1CN(CC(=O)Nc1cccnc1)c1cc(C)ccc1C
• InChI: InChI=1S/C25H29N3O.C24H25N3O2.C23H22N4O.2C22H22ClN3O/c1-17-8-9-19(3)24(13-17)28(15-23-20(4)11-18(2)12-21(23)5)16-25(29)27-22-7-6-10-26-14-22;1-17-6-7-18(2)23(13-17)27(15-20-8-10-21(11-9-20)19(3)28)16-24(29)26-22-5-4-12-25-14-22;1-17-10-11-18(2)22(13-17)27(15-19-7-4-5-9-21(19)24-3)16-23(28)26-20-8-6-12-25-14-20;1-16-5-6-17(2)21(12-16)26(14-18-7-9-19(23)10-8-18)15-22(27)25-20-4-3-11-24-13-20;1-16-9-10-17(2)21(12-16)26(14-18-6-3-4-8-20(18)23)15-22(27)25-19-7-5-11-24-13-19/h6-14H,15-16H2,1-5H3,(H,27,29);4-14H,15-16H2,1-3H3,(H,26,29);4-14H,15-16H2,1-2H3,(H,26,28);2*3-13H,14-15H2,1-2H3,(H,25,27)
• InChIKey: UPCVEUVEVYTZCJ-UHFFFAOYSA-N
• XLogP: 24.70
• TPSA: 247.58 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 31
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1905.25
LogP ≤ 5	24.70
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[N-[(4-acetylphenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide;2-[N-[(2-chlorophenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide;2-[N-[(4-chlorophenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide;2-[2,5-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]anilino]-N-pyridin-3-ylacetamide;2-[N-[(2-isocyanophenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide?

The IUPAC name of 2-[N-[(4-acetylphenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide;2-[N-[(2-chlorophenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide;2-[N-[(4-chlorophenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide;2-[2,5-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]anilino]-N-pyridin-3-ylacetamide;2-[N-[(2-isocyanophenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide (CID 161154550) is 2-[N-[(4-acetylphenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide;2-[N-[(2-chlorophenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide;2-[N-[(4-chlorophenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide;2-[2,5-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]anilino]-N-pyridin-3-ylacetamide;2-[N-[(2-isocyanophenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide.

What is the SMILES notation for 2-[N-[(4-acetylphenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide;2-[N-[(2-chlorophenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide;2-[N-[(4-chlorophenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide;2-[2,5-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]anilino]-N-pyridin-3-ylacetamide;2-[N-[(2-isocyanophenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide?

The canonical SMILES for 2-[N-[(4-acetylphenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide;2-[N-[(2-chlorophenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide;2-[N-[(4-chlorophenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide;2-[2,5-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]anilino]-N-pyridin-3-ylacetamide;2-[N-[(2-isocyanophenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide is CC(=O)c1ccc(CN(CC(=O)Nc2cccnc2)c2cc(C)ccc2C)cc1.Cc1cc(C)c(CN(CC(=O)Nc2cccnc2)c2cc(C)ccc2C)c(C)c1.Cc1ccc(C)c(N(CC(=O)Nc2cccnc2)Cc2ccc(Cl)cc2)c1.Cc1ccc(C)c(N(CC(=O)Nc2cccnc2)Cc2ccccc2Cl)c1.[C-]#[N+]c1ccccc1CN(CC(=O)Nc1cccnc1)c1cc(C)ccc1C.

What is the InChIKey of 2-[N-[(4-acetylphenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide;2-[N-[(2-chlorophenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide;2-[N-[(4-chlorophenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide;2-[2,5-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]anilino]-N-pyridin-3-ylacetamide;2-[N-[(2-isocyanophenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide?

The InChIKey is UPCVEUVEVYTZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O.C24H25N3O2.C23H22N4O.2C22H22ClN3O/c1-17-8-9-19(3)24(13-17)28(15-23-20(4)11-18(2)12-21(23)5)16-25(29)27-22-7-6-10-26-14-22;1-17-6-7-18(2)23(13-17)27(15-20-8-10-21(11-9-20)19(3)28)16-24(29)26-22-5-4-12-25-14-22;1-17-10-11-18(2)22(13-17)27(15-19-7-4-5-9-21(19)24-3)16-23(28)26-20-8-6-12-25-14-20;1-16-5-6-17(2)21(12-16)26(14-18-7-9-19(23)10-8-18)15-22(27)25-20-4-3-11-24-13-20;1-16-9-10-17(2)21(12-16)26(14-18-6-3-4-8-20(18)23)15-22(27)25-19-7-5-11-24-13-19/h6-14H,15-16H2,1-5H3,(H,27,29);4-14H,15-16H2,1-3H3,(H,26,29);4-14H,15-16H2,1-2H3,(H,26,28);2*3-13H,14-15H2,1-2H3,(H,25,27).

What are the key properties of 2-[N-[(4-acetylphenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide;2-[N-[(2-chlorophenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide;2-[N-[(4-chlorophenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide;2-[2,5-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]anilino]-N-pyridin-3-ylacetamide;2-[N-[(2-isocyanophenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide?

2-[N-[(4-acetylphenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide;2-[N-[(2-chlorophenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide;2-[N-[(4-chlorophenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide;2-[2,5-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]anilino]-N-pyridin-3-ylacetamide;2-[N-[(2-isocyanophenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide has a molecular weight of 1905.25 g/mol, XLogP of 24.70, 31 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[N-[(4-acetylphenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide;2-[N-[(2-chlorophenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide;2-[N-[(4-chlorophenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide;2-[2,5-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]anilino]-N-pyridin-3-ylacetamide;2-[N-[(2-isocyanophenyl)methyl]-2,5-dimethylanilino]-N-pyridin-3-ylacetamide is sourced from PubChem (CID 161154550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).