N-[6-(6-chloro-2-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide;2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)-2-pyridinyl]pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide

C58H67ClN20O4 — CID 159227948

About N-[6-(6-chloro-2-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide;2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)-2-pyridinyl]pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide

N-[6-(6-chloro-2-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide;2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)-2-pyridinyl]pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide (PubChem CID 159227948) has the molecular formula C58H67ClN20O4 and a molecular weight of 1143.76 g/mol. Its IUPAC name is N-[6-(6-chloro-2-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide;2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)-2-pyridinyl]pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide.

Molecular Properties

• Compound Name: N-[6-(6-chloro-2-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide;2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)-2-pyridinyl]pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide
• PubChem CID: 159227948
• Molecular Formula: C58H67ClN20O4
• Molecular Weight: 1143.76 g/mol
• Exact Mass: 1142.53
• IUPAC Name: N-[6-(6-chloro-2-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide;2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)-2-pyridinyl]pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide
• SMILES: CC(=O)Nc1cc(-c2cccc(Cl)n2)nc(-n2nc(C)cc2C)n1.COC1CCN(c2cccc(-c3cc(N)nc(-n4nc(C)cc4C)n3)n2)CC1.COC1CCN(c2cccc(-c3cc(NC(C)=O)nc(-n4nc(C)cc4C)n3)n2)CC1
• InChI: InChI=1S/C22H27N7O2.C20H25N7O.C16H15ClN6O/c1-14-12-15(2)29(27-14)22-25-19(13-20(26-22)23-16(3)30)18-6-5-7-21(24-18)28-10-8-17(31-4)9-11-28;1-13-11-14(2)27(25-13)20-23-17(12-18(21)24-20)16-5-4-6-19(22-16)26-9-7-15(28-3)8-10-26;1-9-7-10(2)23(22-9)16-20-13(8-15(21-16)18-11(3)24)12-5-4-6-14(17)19-12/h5-7,12-13,17H,8-11H2,1-4H3,(H,23,25,26,30);4-6,11-12,15H,7-10H2,1-3H3,(H2,21,23,24);4-8H,1-3H3,(H,18,20,21,24)
• InChIKey: KSNJSXNOLWNEIX-UHFFFAOYSA-N
• XLogP: 8.41
• TPSA: 278.63 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 12
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1143.76
LogP ≤ 5	8.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[6-(6-chloro-2-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide;2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)-2-pyridinyl]pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide?

The IUPAC name of N-[6-(6-chloro-2-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide;2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)-2-pyridinyl]pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide (CID 159227948) is N-[6-(6-chloro-2-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide;2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)-2-pyridinyl]pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide.

What is the SMILES notation for N-[6-(6-chloro-2-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide;2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)-2-pyridinyl]pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide?

The canonical SMILES for N-[6-(6-chloro-2-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide;2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)-2-pyridinyl]pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide is CC(=O)Nc1cc(-c2cccc(Cl)n2)nc(-n2nc(C)cc2C)n1.COC1CCN(c2cccc(-c3cc(N)nc(-n4nc(C)cc4C)n3)n2)CC1.COC1CCN(c2cccc(-c3cc(NC(C)=O)nc(-n4nc(C)cc4C)n3)n2)CC1.

What is the InChIKey of N-[6-(6-chloro-2-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide;2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)-2-pyridinyl]pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide?

The InChIKey is KSNJSXNOLWNEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O2.C20H25N7O.C16H15ClN6O/c1-14-12-15(2)29(27-14)22-25-19(13-20(26-22)23-16(3)30)18-6-5-7-21(24-18)28-10-8-17(31-4)9-11-28;1-13-11-14(2)27(25-13)20-23-17(12-18(21)24-20)16-5-4-6-19(22-16)26-9-7-15(28-3)8-10-26;1-9-7-10(2)23(22-9)16-20-13(8-15(21-16)18-11(3)24)12-5-4-6-14(17)19-12/h5-7,12-13,17H,8-11H2,1-4H3,(H,23,25,26,30);4-6,11-12,15H,7-10H2,1-3H3,(H2,21,23,24);4-8H,1-3H3,(H,18,20,21,24).

What are the key properties of N-[6-(6-chloro-2-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide;2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)-2-pyridinyl]pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide?

N-[6-(6-chloro-2-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide;2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)-2-pyridinyl]pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide has a molecular weight of 1143.76 g/mol, XLogP of 8.41, 12 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(6-chloro-2-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide;2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)-2-pyridinyl]pyrimidin-4-amine;N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-(4-methoxypiperidin-1-yl)-2-pyridinyl]pyrimidin-4-yl]acetamide is sourced from PubChem (CID 159227948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).