19-(4-tert-butyl-2-pyridinyl)-26-methyl-12-oxa-15-azahexacyclo[20.3.1.02,14.05,13.06,11.016,21]hexacosa-1(26),2(14),3,5(13),6,8,10,16(21),17,19,22,24-dodecaene

C34H28N2O — CID 168766413

About 19-(4-tert-butyl-2-pyridinyl)-26-methyl-12-oxa-15-azahexacyclo[20.3.1.02,14.05,13.06,11.016,21]hexacosa-1(26),2(14),3,5(13),6,8,10,16(21),17,19,22,24-dodecaene

19-(4-tert-butyl-2-pyridinyl)-26-methyl-12-oxa-15-azahexacyclo[20.3.1.02,14.05,13.06,11.016,21]hexacosa-1(26),2(14),3,5(13),6,8,10,16(21),17,19,22,24-dodecaene (PubChem CID 168766413) has the molecular formula C34H28N2O and a molecular weight of 480.61 g/mol. Its IUPAC name is 19-(4-tert-butyl-2-pyridinyl)-26-methyl-12-oxa-15-azahexacyclo[20.3.1.02,14.05,13.06,11.016,21]hexacosa-1(26),2(14),3,5(13),6,8,10,16(21),17,19,22,24-dodecaene.

Molecular Properties

• Compound Name: 19-(4-tert-butyl-2-pyridinyl)-26-methyl-12-oxa-15-azahexacyclo[20.3.1.02,14.05,13.06,11.016,21]hexacosa-1(26),2(14),3,5(13),6,8,10,16(21),17,19,22,24-dodecaene
• PubChem CID: 168766413
• Molecular Formula: C34H28N2O
• Molecular Weight: 480.61 g/mol
• Exact Mass: 480.22
• IUPAC Name: 19-(4-tert-butyl-2-pyridinyl)-26-methyl-12-oxa-15-azahexacyclo[20.3.1.02,14.05,13.06,11.016,21]hexacosa-1(26),2(14),3,5(13),6,8,10,16(21),17,19,22,24-dodecaene
• SMILES: Cc1c2cccc1-c1ccc3c(oc4ccccc43)c1Nc1ccc(-c3cc(C(C)(C)C)ccn3)cc1-2
• InChI: InChI=1S/C34H28N2O/c1-20-23-9-7-10-24(20)28-18-21(30-19-22(16-17-35-30)34(2,3)4)12-15-29(28)36-32-26(23)13-14-27-25-8-5-6-11-31(25)37-33(27)32/h5-19,36H,1-4H3
• InChIKey: KUYKFYSYXRIQFU-UHFFFAOYSA-N
• XLogP: 9.64
• TPSA: 38.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.61
LogP ≤ 5	9.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 19-(4-tert-butyl-2-pyridinyl)-26-methyl-12-oxa-15-azahexacyclo[20.3.1.02,14.05,13.06,11.016,21]hexacosa-1(26),2(14),3,5(13),6,8,10,16(21),17,19,22,24-dodecaene?

The IUPAC name of 19-(4-tert-butyl-2-pyridinyl)-26-methyl-12-oxa-15-azahexacyclo[20.3.1.02,14.05,13.06,11.016,21]hexacosa-1(26),2(14),3,5(13),6,8,10,16(21),17,19,22,24-dodecaene (CID 168766413) is 19-(4-tert-butyl-2-pyridinyl)-26-methyl-12-oxa-15-azahexacyclo[20.3.1.02,14.05,13.06,11.016,21]hexacosa-1(26),2(14),3,5(13),6,8,10,16(21),17,19,22,24-dodecaene.

What is the SMILES notation for 19-(4-tert-butyl-2-pyridinyl)-26-methyl-12-oxa-15-azahexacyclo[20.3.1.02,14.05,13.06,11.016,21]hexacosa-1(26),2(14),3,5(13),6,8,10,16(21),17,19,22,24-dodecaene?

The canonical SMILES for 19-(4-tert-butyl-2-pyridinyl)-26-methyl-12-oxa-15-azahexacyclo[20.3.1.02,14.05,13.06,11.016,21]hexacosa-1(26),2(14),3,5(13),6,8,10,16(21),17,19,22,24-dodecaene is Cc1c2cccc1-c1ccc3c(oc4ccccc43)c1Nc1ccc(-c3cc(C(C)(C)C)ccn3)cc1-2.

What is the InChIKey of 19-(4-tert-butyl-2-pyridinyl)-26-methyl-12-oxa-15-azahexacyclo[20.3.1.02,14.05,13.06,11.016,21]hexacosa-1(26),2(14),3,5(13),6,8,10,16(21),17,19,22,24-dodecaene?

The InChIKey is KUYKFYSYXRIQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28N2O/c1-20-23-9-7-10-24(20)28-18-21(30-19-22(16-17-35-30)34(2,3)4)12-15-29(28)36-32-26(23)13-14-27-25-8-5-6-11-31(25)37-33(27)32/h5-19,36H,1-4H3.

What are the key properties of 19-(4-tert-butyl-2-pyridinyl)-26-methyl-12-oxa-15-azahexacyclo[20.3.1.02,14.05,13.06,11.016,21]hexacosa-1(26),2(14),3,5(13),6,8,10,16(21),17,19,22,24-dodecaene?

19-(4-tert-butyl-2-pyridinyl)-26-methyl-12-oxa-15-azahexacyclo[20.3.1.02,14.05,13.06,11.016,21]hexacosa-1(26),2(14),3,5(13),6,8,10,16(21),17,19,22,24-dodecaene has a molecular weight of 480.61 g/mol, XLogP of 9.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 19-(4-tert-butyl-2-pyridinyl)-26-methyl-12-oxa-15-azahexacyclo[20.3.1.02,14.05,13.06,11.016,21]hexacosa-1(26),2(14),3,5(13),6,8,10,16(21),17,19,22,24-dodecaene is sourced from PubChem (CID 168766413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).