N-[(2,4-dimethoxyphenyl)methyl]-2-oxo-5-pyridin-2-ylpentanamide;4-(2,3-dimethoxyphenyl)-2-oxo-N-(2-pyridin-2-ylethyl)butanamide;2-[[5-(2,3-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine;N-[(2-methoxy-4-methylphenyl)methyl]-5-(5-methyl-2-pyridinyl)-2-oxopentanamide;N-[(2-methoxy-4-methylphenyl)methyl]-2-oxo-5-pyridin-2-ylpentanamide;2-(4-methylphenoxy)-N-(1H-pyrazol-5-yl)-N-(thiophen-2-ylmethyl)acetamide

C110H123N15O18S2 — CID 157247508

About N-[(2,4-dimethoxyphenyl)methyl]-2-oxo-5-pyridin-2-ylpentanamide;4-(2,3-dimethoxyphenyl)-2-oxo-N-(2-pyridin-2-ylethyl)butanamide;2-[[5-(2,3-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine;N-[(2-methoxy-4-methylphenyl)methyl]-5-(5-methyl-2-pyridinyl)-2-oxopentanamide;N-[(2-methoxy-4-methylphenyl)methyl]-2-oxo-5-pyridin-2-ylpentanamide;2-(4-methylphenoxy)-N-(1H-pyrazol-5-yl)-N-(thiophen-2-ylmethyl)acetamide

N-[(2,4-dimethoxyphenyl)methyl]-2-oxo-5-pyridin-2-ylpentanamide;4-(2,3-dimethoxyphenyl)-2-oxo-N-(2-pyridin-2-ylethyl)butanamide;2-[[5-(2,3-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine;N-[(2-methoxy-4-methylphenyl)methyl]-5-(5-methyl-2-pyridinyl)-2-oxopentanamide;N-[(2-methoxy-4-methylphenyl)methyl]-2-oxo-5-pyridin-2-ylpentanamide;2-(4-methylphenoxy)-N-(1H-pyrazol-5-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 157247508) has the molecular formula C110H123N15O18S2 and a molecular weight of 2007.41 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-2-oxo-5-pyridin-2-ylpentanamide;4-(2,3-dimethoxyphenyl)-2-oxo-N-(2-pyridin-2-ylethyl)butanamide;2-[[5-(2,3-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine;N-[(2-methoxy-4-methylphenyl)methyl]-5-(5-methyl-2-pyridinyl)-2-oxopentanamide;N-[(2-methoxy-4-methylphenyl)methyl]-2-oxo-5-pyridin-2-ylpentanamide;2-(4-methylphenoxy)-N-(1H-pyrazol-5-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: N-[(2,4-dimethoxyphenyl)methyl]-2-oxo-5-pyridin-2-ylpentanamide;4-(2,3-dimethoxyphenyl)-2-oxo-N-(2-pyridin-2-ylethyl)butanamide;2-[[5-(2,3-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine;N-[(2-methoxy-4-methylphenyl)methyl]-5-(5-methyl-2-pyridinyl)-2-oxopentanamide;N-[(2-methoxy-4-methylphenyl)methyl]-2-oxo-5-pyridin-2-ylpentanamide;2-(4-methylphenoxy)-N-(1H-pyrazol-5-yl)-N-(thiophen-2-ylmethyl)acetamide
• PubChem CID: 157247508
• Molecular Formula: C110H123N15O18S2
• Molecular Weight: 2007.41 g/mol
• Exact Mass: 2005.86
• IUPAC Name: N-[(2,4-dimethoxyphenyl)methyl]-2-oxo-5-pyridin-2-ylpentanamide;4-(2,3-dimethoxyphenyl)-2-oxo-N-(2-pyridin-2-ylethyl)butanamide;2-[[5-(2,3-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine;N-[(2-methoxy-4-methylphenyl)methyl]-5-(5-methyl-2-pyridinyl)-2-oxopentanamide;N-[(2-methoxy-4-methylphenyl)methyl]-2-oxo-5-pyridin-2-ylpentanamide;2-(4-methylphenoxy)-N-(1H-pyrazol-5-yl)-N-(thiophen-2-ylmethyl)acetamide
• SMILES: COc1cc(C)ccc1CNC(=O)C(=O)CCCc1ccc(C)cn1.COc1cc(C)ccc1CNC(=O)C(=O)CCCc1ccccn1.COc1ccc(CNC(=O)C(=O)CCCc2ccccn2)c(OC)c1.COc1cccc(-c2nc(SCc3ccccn3)n[nH]2)c1OC.COc1cccc(CCC(=O)C(=O)NCCc2ccccn2)c1OC.Cc1ccc(OCC(=O)N(Cc2cccs2)c2ccn[nH]2)cc1
• InChI: InChI=1S/C20H24N2O3.2C19H22N2O4.C19H22N2O3.C17H17N3O2S.C16H16N4O2S/c1-14-7-9-16(19(11-14)25-3)13-22-20(24)18(23)6-4-5-17-10-8-15(2)12-21-17;1-24-17-8-5-6-14(18(17)25-2)9-10-16(22)19(23)21-13-11-15-7-3-4-12-20-15;1-24-16-10-9-14(18(12-16)25-2)13-21-19(23)17(22)8-5-7-15-6-3-4-11-20-15;1-14-9-10-15(18(12-14)24-2)13-21-19(23)17(22)8-5-7-16-6-3-4-11-20-16;1-13-4-6-14(7-5-13)22-12-17(21)20(16-8-9-18-19-16)11-15-3-2-10-23-15;1-21-13-8-5-7-12(14(13)22-2)15-18-16(20-19-15)23-10-11-6-3-4-9-17-11/h7-12H,4-6,13H2,1-3H3,(H,22,24);3-8,12H,9-11,13H2,1-2H3,(H,21,23);3-4,6,9-12H,5,7-8,13H2,1-2H3,(H,21,23);3-4,6,9-12H,5,7-8,13H2,1-2H3,(H,21,23);2-10H,11-12H2,1H3,(H,18,19);3-9H,10H2,1-2H3,(H,18,19,20)
• InChIKey: AVYLFFIDRMKYOW-UHFFFAOYSA-N
• XLogP: 16.36
• TPSA: 422.76 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 46
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2007.41
LogP ≤ 5	16.36
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-oxo-5-pyridin-2-ylpentanamide;4-(2,3-dimethoxyphenyl)-2-oxo-N-(2-pyridin-2-ylethyl)butanamide;2-[[5-(2,3-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine;N-[(2-methoxy-4-methylphenyl)methyl]-5-(5-methyl-2-pyridinyl)-2-oxopentanamide;N-[(2-methoxy-4-methylphenyl)methyl]-2-oxo-5-pyridin-2-ylpentanamide;2-(4-methylphenoxy)-N-(1H-pyrazol-5-yl)-N-(thiophen-2-ylmethyl)acetamide?

The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-oxo-5-pyridin-2-ylpentanamide;4-(2,3-dimethoxyphenyl)-2-oxo-N-(2-pyridin-2-ylethyl)butanamide;2-[[5-(2,3-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine;N-[(2-methoxy-4-methylphenyl)methyl]-5-(5-methyl-2-pyridinyl)-2-oxopentanamide;N-[(2-methoxy-4-methylphenyl)methyl]-2-oxo-5-pyridin-2-ylpentanamide;2-(4-methylphenoxy)-N-(1H-pyrazol-5-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 157247508) is N-[(2,4-dimethoxyphenyl)methyl]-2-oxo-5-pyridin-2-ylpentanamide;4-(2,3-dimethoxyphenyl)-2-oxo-N-(2-pyridin-2-ylethyl)butanamide;2-[[5-(2,3-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine;N-[(2-methoxy-4-methylphenyl)methyl]-5-(5-methyl-2-pyridinyl)-2-oxopentanamide;N-[(2-methoxy-4-methylphenyl)methyl]-2-oxo-5-pyridin-2-ylpentanamide;2-(4-methylphenoxy)-N-(1H-pyrazol-5-yl)-N-(thiophen-2-ylmethyl)acetamide.

What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-2-oxo-5-pyridin-2-ylpentanamide;4-(2,3-dimethoxyphenyl)-2-oxo-N-(2-pyridin-2-ylethyl)butanamide;2-[[5-(2,3-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine;N-[(2-methoxy-4-methylphenyl)methyl]-5-(5-methyl-2-pyridinyl)-2-oxopentanamide;N-[(2-methoxy-4-methylphenyl)methyl]-2-oxo-5-pyridin-2-ylpentanamide;2-(4-methylphenoxy)-N-(1H-pyrazol-5-yl)-N-(thiophen-2-ylmethyl)acetamide?

The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-2-oxo-5-pyridin-2-ylpentanamide;4-(2,3-dimethoxyphenyl)-2-oxo-N-(2-pyridin-2-ylethyl)butanamide;2-[[5-(2,3-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine;N-[(2-methoxy-4-methylphenyl)methyl]-5-(5-methyl-2-pyridinyl)-2-oxopentanamide;N-[(2-methoxy-4-methylphenyl)methyl]-2-oxo-5-pyridin-2-ylpentanamide;2-(4-methylphenoxy)-N-(1H-pyrazol-5-yl)-N-(thiophen-2-ylmethyl)acetamide is COc1cc(C)ccc1CNC(=O)C(=O)CCCc1ccc(C)cn1.COc1cc(C)ccc1CNC(=O)C(=O)CCCc1ccccn1.COc1ccc(CNC(=O)C(=O)CCCc2ccccn2)c(OC)c1.COc1cccc(-c2nc(SCc3ccccn3)n[nH]2)c1OC.COc1cccc(CCC(=O)C(=O)NCCc2ccccn2)c1OC.Cc1ccc(OCC(=O)N(Cc2cccs2)c2ccn[nH]2)cc1.

What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-2-oxo-5-pyridin-2-ylpentanamide;4-(2,3-dimethoxyphenyl)-2-oxo-N-(2-pyridin-2-ylethyl)butanamide;2-[[5-(2,3-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine;N-[(2-methoxy-4-methylphenyl)methyl]-5-(5-methyl-2-pyridinyl)-2-oxopentanamide;N-[(2-methoxy-4-methylphenyl)methyl]-2-oxo-5-pyridin-2-ylpentanamide;2-(4-methylphenoxy)-N-(1H-pyrazol-5-yl)-N-(thiophen-2-ylmethyl)acetamide?

The InChIKey is AVYLFFIDRMKYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3.2C19H22N2O4.C19H22N2O3.C17H17N3O2S.C16H16N4O2S/c1-14-7-9-16(19(11-14)25-3)13-22-20(24)18(23)6-4-5-17-10-8-15(2)12-21-17;1-24-17-8-5-6-14(18(17)25-2)9-10-16(22)19(23)21-13-11-15-7-3-4-12-20-15;1-24-16-10-9-14(18(12-16)25-2)13-21-19(23)17(22)8-5-7-15-6-3-4-11-20-15;1-14-9-10-15(18(12-14)24-2)13-21-19(23)17(22)8-5-7-16-6-3-4-11-20-16;1-13-4-6-14(7-5-13)22-12-17(21)20(16-8-9-18-19-16)11-15-3-2-10-23-15;1-21-13-8-5-7-12(14(13)22-2)15-18-16(20-19-15)23-10-11-6-3-4-9-17-11/h7-12H,4-6,13H2,1-3H3,(H,22,24);3-8,12H,9-11,13H2,1-2H3,(H,21,23);3-4,6,9-12H,5,7-8,13H2,1-2H3,(H,21,23);3-4,6,9-12H,5,7-8,13H2,1-2H3,(H,21,23);2-10H,11-12H2,1H3,(H,18,19);3-9H,10H2,1-2H3,(H,18,19,20).

What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-2-oxo-5-pyridin-2-ylpentanamide;4-(2,3-dimethoxyphenyl)-2-oxo-N-(2-pyridin-2-ylethyl)butanamide;2-[[5-(2,3-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine;N-[(2-methoxy-4-methylphenyl)methyl]-5-(5-methyl-2-pyridinyl)-2-oxopentanamide;N-[(2-methoxy-4-methylphenyl)methyl]-2-oxo-5-pyridin-2-ylpentanamide;2-(4-methylphenoxy)-N-(1H-pyrazol-5-yl)-N-(thiophen-2-ylmethyl)acetamide?

N-[(2,4-dimethoxyphenyl)methyl]-2-oxo-5-pyridin-2-ylpentanamide;4-(2,3-dimethoxyphenyl)-2-oxo-N-(2-pyridin-2-ylethyl)butanamide;2-[[5-(2,3-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine;N-[(2-methoxy-4-methylphenyl)methyl]-5-(5-methyl-2-pyridinyl)-2-oxopentanamide;N-[(2-methoxy-4-methylphenyl)methyl]-2-oxo-5-pyridin-2-ylpentanamide;2-(4-methylphenoxy)-N-(1H-pyrazol-5-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 2007.41 g/mol, XLogP of 16.36, 46 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2,4-dimethoxyphenyl)methyl]-2-oxo-5-pyridin-2-ylpentanamide;4-(2,3-dimethoxyphenyl)-2-oxo-N-(2-pyridin-2-ylethyl)butanamide;2-[[5-(2,3-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine;N-[(2-methoxy-4-methylphenyl)methyl]-5-(5-methyl-2-pyridinyl)-2-oxopentanamide;N-[(2-methoxy-4-methylphenyl)methyl]-2-oxo-5-pyridin-2-ylpentanamide;2-(4-methylphenoxy)-N-(1H-pyrazol-5-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 157247508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).