2-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-N-[5-(3-fluorophenyl)-2-pyridinyl]acetamide;2-(6-chloro-3-pyridinyl)acetic acid;2-(6-chloro-3-pyridinyl)-N-[5-(3-fluorophenyl)-2-pyridinyl]acetamide;deuterio(fluoro)methane;5-(3-fluorophenyl)pyridin-2-amine;1-piperazin-1-ylethanone

C67H67Cl2F4N13O6 — CID 157184305

About 2-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-N-[5-(3-fluorophenyl)-2-pyridinyl]acetamide;2-(6-chloro-3-pyridinyl)acetic acid;2-(6-chloro-3-pyridinyl)-N-[5-(3-fluorophenyl)-2-pyridinyl]acetamide;deuterio(fluoro)methane;5-(3-fluorophenyl)pyridin-2-amine;1-piperazin-1-ylethanone

2-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-N-[5-(3-fluorophenyl)-2-pyridinyl]acetamide;2-(6-chloro-3-pyridinyl)acetic acid;2-(6-chloro-3-pyridinyl)-N-[5-(3-fluorophenyl)-2-pyridinyl]acetamide;deuterio(fluoro)methane;5-(3-fluorophenyl)pyridin-2-amine;1-piperazin-1-ylethanone (PubChem CID 157184305) has the molecular formula C67H67Cl2F4N13O6 and a molecular weight of 1298.26 g/mol. Its IUPAC name is 2-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-N-[5-(3-fluorophenyl)-2-pyridinyl]acetamide;2-(6-chloro-3-pyridinyl)acetic acid;2-(6-chloro-3-pyridinyl)-N-[5-(3-fluorophenyl)-2-pyridinyl]acetamide;deuterio(fluoro)methane;5-(3-fluorophenyl)pyridin-2-amine;1-piperazin-1-ylethanone.

Molecular Properties

• Compound Name: 2-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-N-[5-(3-fluorophenyl)-2-pyridinyl]acetamide;2-(6-chloro-3-pyridinyl)acetic acid;2-(6-chloro-3-pyridinyl)-N-[5-(3-fluorophenyl)-2-pyridinyl]acetamide;deuterio(fluoro)methane;5-(3-fluorophenyl)pyridin-2-amine;1-piperazin-1-ylethanone
• PubChem CID: 157184305
• Molecular Formula: C67H67Cl2F4N13O6
• Molecular Weight: 1298.26 g/mol
• Exact Mass: 1296.47
• IUPAC Name: 2-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-N-[5-(3-fluorophenyl)-2-pyridinyl]acetamide;2-(6-chloro-3-pyridinyl)acetic acid;2-(6-chloro-3-pyridinyl)-N-[5-(3-fluorophenyl)-2-pyridinyl]acetamide;deuterio(fluoro)methane;5-(3-fluorophenyl)pyridin-2-amine;1-piperazin-1-ylethanone
• SMILES: CC(=O)N1CCN(c2ccc(CC(=O)Nc3ccc(-c4cccc(F)c4)cn3)cn2)CC1.CC(=O)N1CCNCC1.Nc1ccc(-c2cccc(F)c2)cn1.O=C(Cc1ccc(Cl)nc1)Nc1ccc(-c2cccc(F)c2)cn1.O=C(O)Cc1ccc(Cl)nc1.[2H]CF
• InChI: InChI=1S/C24H24FN5O2.C18H13ClFN3O.C11H9FN2.C7H6ClNO2.C6H12N2O.CH3F/c1-17(31)29-9-11-30(12-10-29)23-8-5-18(15-27-23)13-24(32)28-22-7-6-20(16-26-22)19-3-2-4-21(25)14-19;19-16-6-4-12(10-21-16)8-18(24)23-17-7-5-14(11-22-17)13-2-1-3-15(20)9-13;12-10-3-1-2-8(6-10)9-4-5-11(13)14-7-9;8-6-2-1-5(4-9-6)3-7(10)11;1-6(9)8-4-2-7-3-5-8;1-2/h2-8,14-16H,9-13H2,1H3,(H,26,28,32);1-7,9-11H,8H2,(H,22,23,24);1-7H,(H2,13,14);1-2,4H,3H2,(H,10,11);7H,2-5H2,1H3;1H3/i;;;;;1D
• InChIKey: AOYACLLGYQSQGU-WTMQMJMGSA-N
• XLogP: 11.11
• TPSA: 254.75 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1298.26
LogP ≤ 5	11.11
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-N-[5-(3-fluorophenyl)-2-pyridinyl]acetamide;2-(6-chloro-3-pyridinyl)acetic acid;2-(6-chloro-3-pyridinyl)-N-[5-(3-fluorophenyl)-2-pyridinyl]acetamide;deuterio(fluoro)methane;5-(3-fluorophenyl)pyridin-2-amine;1-piperazin-1-ylethanone?

The IUPAC name of 2-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-N-[5-(3-fluorophenyl)-2-pyridinyl]acetamide;2-(6-chloro-3-pyridinyl)acetic acid;2-(6-chloro-3-pyridinyl)-N-[5-(3-fluorophenyl)-2-pyridinyl]acetamide;deuterio(fluoro)methane;5-(3-fluorophenyl)pyridin-2-amine;1-piperazin-1-ylethanone (CID 157184305) is 2-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-N-[5-(3-fluorophenyl)-2-pyridinyl]acetamide;2-(6-chloro-3-pyridinyl)acetic acid;2-(6-chloro-3-pyridinyl)-N-[5-(3-fluorophenyl)-2-pyridinyl]acetamide;deuterio(fluoro)methane;5-(3-fluorophenyl)pyridin-2-amine;1-piperazin-1-ylethanone.

What is the SMILES notation for 2-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-N-[5-(3-fluorophenyl)-2-pyridinyl]acetamide;2-(6-chloro-3-pyridinyl)acetic acid;2-(6-chloro-3-pyridinyl)-N-[5-(3-fluorophenyl)-2-pyridinyl]acetamide;deuterio(fluoro)methane;5-(3-fluorophenyl)pyridin-2-amine;1-piperazin-1-ylethanone?

The canonical SMILES for 2-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-N-[5-(3-fluorophenyl)-2-pyridinyl]acetamide;2-(6-chloro-3-pyridinyl)acetic acid;2-(6-chloro-3-pyridinyl)-N-[5-(3-fluorophenyl)-2-pyridinyl]acetamide;deuterio(fluoro)methane;5-(3-fluorophenyl)pyridin-2-amine;1-piperazin-1-ylethanone is CC(=O)N1CCN(c2ccc(CC(=O)Nc3ccc(-c4cccc(F)c4)cn3)cn2)CC1.CC(=O)N1CCNCC1.Nc1ccc(-c2cccc(F)c2)cn1.O=C(Cc1ccc(Cl)nc1)Nc1ccc(-c2cccc(F)c2)cn1.O=C(O)Cc1ccc(Cl)nc1.[2H]CF.

What is the InChIKey of 2-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-N-[5-(3-fluorophenyl)-2-pyridinyl]acetamide;2-(6-chloro-3-pyridinyl)acetic acid;2-(6-chloro-3-pyridinyl)-N-[5-(3-fluorophenyl)-2-pyridinyl]acetamide;deuterio(fluoro)methane;5-(3-fluorophenyl)pyridin-2-amine;1-piperazin-1-ylethanone?

The InChIKey is AOYACLLGYQSQGU-WTMQMJMGSA-N. The full InChI is InChI=1S/C24H24FN5O2.C18H13ClFN3O.C11H9FN2.C7H6ClNO2.C6H12N2O.CH3F/c1-17(31)29-9-11-30(12-10-29)23-8-5-18(15-27-23)13-24(32)28-22-7-6-20(16-26-22)19-3-2-4-21(25)14-19;19-16-6-4-12(10-21-16)8-18(24)23-17-7-5-14(11-22-17)13-2-1-3-15(20)9-13;12-10-3-1-2-8(6-10)9-4-5-11(13)14-7-9;8-6-2-1-5(4-9-6)3-7(10)11;1-6(9)8-4-2-7-3-5-8;1-2/h2-8,14-16H,9-13H2,1H3,(H,26,28,32);1-7,9-11H,8H2,(H,22,23,24);1-7H,(H2,13,14);1-2,4H,3H2,(H,10,11);7H,2-5H2,1H3;1H3/i;;;;;1D.

What are the key properties of 2-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-N-[5-(3-fluorophenyl)-2-pyridinyl]acetamide;2-(6-chloro-3-pyridinyl)acetic acid;2-(6-chloro-3-pyridinyl)-N-[5-(3-fluorophenyl)-2-pyridinyl]acetamide;deuterio(fluoro)methane;5-(3-fluorophenyl)pyridin-2-amine;1-piperazin-1-ylethanone?

2-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-N-[5-(3-fluorophenyl)-2-pyridinyl]acetamide;2-(6-chloro-3-pyridinyl)acetic acid;2-(6-chloro-3-pyridinyl)-N-[5-(3-fluorophenyl)-2-pyridinyl]acetamide;deuterio(fluoro)methane;5-(3-fluorophenyl)pyridin-2-amine;1-piperazin-1-ylethanone has a molecular weight of 1298.26 g/mol, XLogP of 11.11, 12 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-N-[5-(3-fluorophenyl)-2-pyridinyl]acetamide;2-(6-chloro-3-pyridinyl)acetic acid;2-(6-chloro-3-pyridinyl)-N-[5-(3-fluorophenyl)-2-pyridinyl]acetamide;deuterio(fluoro)methane;5-(3-fluorophenyl)pyridin-2-amine;1-piperazin-1-ylethanone is sourced from PubChem (CID 157184305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).