19-cyclohexyl-5-methoxy-N-methyl-10-(5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide

C34H40N4O3 — CID 145475636

About 19-cyclohexyl-5-methoxy-N-methyl-10-(5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide

19-cyclohexyl-5-methoxy-N-methyl-10-(5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide (PubChem CID 145475636) has the molecular formula C34H40N4O3 and a molecular weight of 552.72 g/mol. Its IUPAC name is 19-cyclohexyl-5-methoxy-N-methyl-10-(5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide.

Molecular Properties

• Compound Name: 19-cyclohexyl-5-methoxy-N-methyl-10-(5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
• PubChem CID: 145475636
• Molecular Formula: C34H40N4O3
• Molecular Weight: 552.72 g/mol
• Exact Mass: 552.31
• IUPAC Name: 19-cyclohexyl-5-methoxy-N-methyl-10-(5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
• SMILES: CNC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC1(C(=O)N2CC4CC2CN4C)CC1c1cc(OC)ccc1-3
• InChI: InChI=1S/C34H40N4O3/c1-35-32(39)21-9-11-26-29(13-21)38-19-34(33(40)37-18-22-14-23(37)17-36(22)2)16-28(34)27-15-24(41-3)10-12-25(27)31(38)30(26)20-7-5-4-6-8-20/h9-13,15,20,22-23,28H,4-8,14,16-19H2,1-3H3,(H,35,39)
• InChIKey: HMALZNRJHDSJBF-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 66.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	552.72
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 19-cyclohexyl-5-methoxy-N-methyl-10-(5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide?

The IUPAC name of 19-cyclohexyl-5-methoxy-N-methyl-10-(5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide (CID 145475636) is 19-cyclohexyl-5-methoxy-N-methyl-10-(5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide.

What is the SMILES notation for 19-cyclohexyl-5-methoxy-N-methyl-10-(5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide?

The canonical SMILES for 19-cyclohexyl-5-methoxy-N-methyl-10-(5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide is CNC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC1(C(=O)N2CC4CC2CN4C)CC1c1cc(OC)ccc1-3.

What is the InChIKey of 19-cyclohexyl-5-methoxy-N-methyl-10-(5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide?

The InChIKey is HMALZNRJHDSJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N4O3/c1-35-32(39)21-9-11-26-29(13-21)38-19-34(33(40)37-18-22-14-23(37)17-36(22)2)16-28(34)27-15-24(41-3)10-12-25(27)31(38)30(26)20-7-5-4-6-8-20/h9-13,15,20,22-23,28H,4-8,14,16-19H2,1-3H3,(H,35,39).

What are the key properties of 19-cyclohexyl-5-methoxy-N-methyl-10-(5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide?

19-cyclohexyl-5-methoxy-N-methyl-10-(5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide has a molecular weight of 552.72 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 19-cyclohexyl-5-methoxy-N-methyl-10-(5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide is sourced from PubChem (CID 145475636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).