6-[(10S,15S)-24-methoxy-17,20-dioxo-19-propyl-2,9-dioxa-12,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaen-12-yl]-N-methylpyridazine-3-carboxamide

C31H36N6O6 — CID 165419078

About 6-[(10S,15S)-24-methoxy-17,20-dioxo-19-propyl-2,9-dioxa-12,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaen-12-yl]-N-methylpyridazine-3-carboxamide

6-[(10S,15S)-24-methoxy-17,20-dioxo-19-propyl-2,9-dioxa-12,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaen-12-yl]-N-methylpyridazine-3-carboxamide (PubChem CID 165419078) has the molecular formula C31H36N6O6 and a molecular weight of 588.67 g/mol. Its IUPAC name is 6-[(10S,15S)-24-methoxy-17,20-dioxo-19-propyl-2,9-dioxa-12,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaen-12-yl]-N-methylpyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[(10S,15S)-24-methoxy-17,20-dioxo-19-propyl-2,9-dioxa-12,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaen-12-yl]-N-methylpyridazine-3-carboxamide
• PubChem CID: 165419078
• Molecular Formula: C31H36N6O6
• Molecular Weight: 588.67 g/mol
• Exact Mass: 588.27
• IUPAC Name: 6-[(10S,15S)-24-methoxy-17,20-dioxo-19-propyl-2,9-dioxa-12,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaen-12-yl]-N-methylpyridazine-3-carboxamide
• SMILES: CCCN1CC(=O)N[C@H]2CCN(c3ccc(C(=O)NC)nn3)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1=O
• InChI: InChI=1S/C31H36N6O6/c1-4-13-37-18-29(38)33-23-12-14-36(28-11-9-24(34-35-28)30(39)32-2)17-27(23)42-19-20-6-5-7-22(15-20)43-26-16-21(31(37)40)8-10-25(26)41-3/h5-11,15-16,23,27H,4,12-14,17-19H2,1-3H3,(H,32,39)(H,33,38)/t23-,27-/m0/s1
• InChIKey: FQKAMVFTIPANEQ-HOFKKMOUSA-N
• XLogP: 2.78
• TPSA: 135.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	588.67
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[(10S,15S)-24-methoxy-17,20-dioxo-19-propyl-2,9-dioxa-12,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaen-12-yl]-N-methylpyridazine-3-carboxamide?

The IUPAC name of 6-[(10S,15S)-24-methoxy-17,20-dioxo-19-propyl-2,9-dioxa-12,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaen-12-yl]-N-methylpyridazine-3-carboxamide (CID 165419078) is 6-[(10S,15S)-24-methoxy-17,20-dioxo-19-propyl-2,9-dioxa-12,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaen-12-yl]-N-methylpyridazine-3-carboxamide.

What is the SMILES notation for 6-[(10S,15S)-24-methoxy-17,20-dioxo-19-propyl-2,9-dioxa-12,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaen-12-yl]-N-methylpyridazine-3-carboxamide?

The canonical SMILES for 6-[(10S,15S)-24-methoxy-17,20-dioxo-19-propyl-2,9-dioxa-12,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaen-12-yl]-N-methylpyridazine-3-carboxamide is CCCN1CC(=O)N[C@H]2CCN(c3ccc(C(=O)NC)nn3)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1=O.

What is the InChIKey of 6-[(10S,15S)-24-methoxy-17,20-dioxo-19-propyl-2,9-dioxa-12,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaen-12-yl]-N-methylpyridazine-3-carboxamide?

The InChIKey is FQKAMVFTIPANEQ-HOFKKMOUSA-N. The full InChI is InChI=1S/C31H36N6O6/c1-4-13-37-18-29(38)33-23-12-14-36(28-11-9-24(34-35-28)30(39)32-2)17-27(23)42-19-20-6-5-7-22(15-20)43-26-16-21(31(37)40)8-10-25(26)41-3/h5-11,15-16,23,27H,4,12-14,17-19H2,1-3H3,(H,32,39)(H,33,38)/t23-,27-/m0/s1.

What are the key properties of 6-[(10S,15S)-24-methoxy-17,20-dioxo-19-propyl-2,9-dioxa-12,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaen-12-yl]-N-methylpyridazine-3-carboxamide?

6-[(10S,15S)-24-methoxy-17,20-dioxo-19-propyl-2,9-dioxa-12,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaen-12-yl]-N-methylpyridazine-3-carboxamide has a molecular weight of 588.67 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(10S,15S)-24-methoxy-17,20-dioxo-19-propyl-2,9-dioxa-12,16,19-triazatetracyclo[19.3.1.13,7.010,15]hexacosa-1(24),3,5,7(26),21(25),22-hexaen-12-yl]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 165419078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).