4-(chloromethyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-methoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)cyclohexanecarboxamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-2-phenylacetamide

C88H76ClN15O11 — CID 158106475

About 4-(chloromethyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-methoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)cyclohexanecarboxamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-2-phenylacetamide

4-(chloromethyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-methoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)cyclohexanecarboxamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-2-phenylacetamide (PubChem CID 158106475) has the molecular formula C88H76ClN15O11 and a molecular weight of 1555.12 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-methoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)cyclohexanecarboxamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-2-phenylacetamide.

Molecular Properties

• Compound Name: 4-(chloromethyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-methoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)cyclohexanecarboxamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-2-phenylacetamide
• PubChem CID: 158106475
• Molecular Formula: C88H76ClN15O11
• Molecular Weight: 1555.12 g/mol
• Exact Mass: 1553.55
• IUPAC Name: 4-(chloromethyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-methoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)cyclohexanecarboxamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-2-phenylacetamide
• SMILES: COc1ccc(C(=O)Nc2cc(-c3ccncc3)c[nH]c2=O)cc1.O=C(Cc1ccccc1)Nc1cc(-c2ccncc2)c[nH]c1=O.O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)C1CCCCC1.O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)c1ccc(CCl)cc1.O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)c1ccccc1
• InChI: InChI=1S/C18H14ClN3O2.C18H15N3O3.C18H15N3O2.C17H19N3O2.C17H13N3O2/c19-10-12-1-3-14(4-2-12)17(23)22-16-9-15(11-21-18(16)24)13-5-7-20-8-6-13;1-24-15-4-2-13(3-5-15)17(22)21-16-10-14(11-20-18(16)23)12-6-8-19-9-7-12;22-17(10-13-4-2-1-3-5-13)21-16-11-15(12-20-18(16)23)14-6-8-19-9-7-14;2*21-16(13-4-2-1-3-5-13)20-15-10-14(11-19-17(15)22)12-6-8-18-9-7-12/h1-9,11H,10H2,(H,21,24)(H,22,23);2-11H,1H3,(H,20,23)(H,21,22);1-9,11-12H,10H2,(H,20,23)(H,21,22);6-11,13H,1-5H2,(H,19,22)(H,20,21);1-11H,(H,19,22)(H,20,21)
• InChIKey: FPXAIDBIXWJYOQ-UHFFFAOYSA-N
• XLogP: 14.39
• TPSA: 383.48 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 16
• Rotatable Bonds: 18
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1555.12
LogP ≤ 5	14.39
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-methoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)cyclohexanecarboxamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-2-phenylacetamide?

The IUPAC name of 4-(chloromethyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-methoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)cyclohexanecarboxamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-2-phenylacetamide (CID 158106475) is 4-(chloromethyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-methoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)cyclohexanecarboxamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-2-phenylacetamide.

What is the SMILES notation for 4-(chloromethyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-methoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)cyclohexanecarboxamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-2-phenylacetamide?

The canonical SMILES for 4-(chloromethyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-methoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)cyclohexanecarboxamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-2-phenylacetamide is COc1ccc(C(=O)Nc2cc(-c3ccncc3)c[nH]c2=O)cc1.O=C(Cc1ccccc1)Nc1cc(-c2ccncc2)c[nH]c1=O.O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)C1CCCCC1.O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)c1ccc(CCl)cc1.O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)c1ccccc1.

What is the InChIKey of 4-(chloromethyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-methoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)cyclohexanecarboxamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-2-phenylacetamide?

The InChIKey is FPXAIDBIXWJYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2.C18H15N3O3.C18H15N3O2.C17H19N3O2.C17H13N3O2/c19-10-12-1-3-14(4-2-12)17(23)22-16-9-15(11-21-18(16)24)13-5-7-20-8-6-13;1-24-15-4-2-13(3-5-15)17(22)21-16-10-14(11-20-18(16)23)12-6-8-19-9-7-12;22-17(10-13-4-2-1-3-5-13)21-16-11-15(12-20-18(16)23)14-6-8-19-9-7-14;2*21-16(13-4-2-1-3-5-13)20-15-10-14(11-19-17(15)22)12-6-8-18-9-7-12/h1-9,11H,10H2,(H,21,24)(H,22,23);2-11H,1H3,(H,20,23)(H,21,22);1-9,11-12H,10H2,(H,20,23)(H,21,22);6-11,13H,1-5H2,(H,19,22)(H,20,21);1-11H,(H,19,22)(H,20,21).

What are the key properties of 4-(chloromethyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-methoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)cyclohexanecarboxamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-2-phenylacetamide?

4-(chloromethyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-methoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)cyclohexanecarboxamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-2-phenylacetamide has a molecular weight of 1555.12 g/mol, XLogP of 14.39, 18 rotatable bonds, 10 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(chloromethyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-methoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)cyclohexanecarboxamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-2-phenylacetamide is sourced from PubChem (CID 158106475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).