(10R,15S)-19-methyl-13-[5-(piperidine-1-carbonyl)-2-pyridinyl]-2,9-dioxa-13,16,19-triazatetracyclo[21.3.1.13,7.010,15]octacosa-1(26),3,5,7(28),23(27),24-hexaene-17,20-dione

C35H41N5O5 — CID 131896760

About (10R,15S)-19-methyl-13-[5-(piperidine-1-carbonyl)-2-pyridinyl]-2,9-dioxa-13,16,19-triazatetracyclo[21.3.1.13,7.010,15]octacosa-1(26),3,5,7(28),23(27),24-hexaene-17,20-dione

(10R,15S)-19-methyl-13-[5-(piperidine-1-carbonyl)-2-pyridinyl]-2,9-dioxa-13,16,19-triazatetracyclo[21.3.1.13,7.010,15]octacosa-1(26),3,5,7(28),23(27),24-hexaene-17,20-dione (PubChem CID 131896760) has the molecular formula C35H41N5O5 and a molecular weight of 611.74 g/mol. Its IUPAC name is (10R,15S)-19-methyl-13-[5-(piperidine-1-carbonyl)-2-pyridinyl]-2,9-dioxa-13,16,19-triazatetracyclo[21.3.1.13,7.010,15]octacosa-1(26),3,5,7(28),23(27),24-hexaene-17,20-dione.

Molecular Properties

• Compound Name: (10R,15S)-19-methyl-13-[5-(piperidine-1-carbonyl)-2-pyridinyl]-2,9-dioxa-13,16,19-triazatetracyclo[21.3.1.13,7.010,15]octacosa-1(26),3,5,7(28),23(27),24-hexaene-17,20-dione
• PubChem CID: 131896760
• Molecular Formula: C35H41N5O5
• Molecular Weight: 611.74 g/mol
• Exact Mass: 611.31
• IUPAC Name: (10R,15S)-19-methyl-13-[5-(piperidine-1-carbonyl)-2-pyridinyl]-2,9-dioxa-13,16,19-triazatetracyclo[21.3.1.13,7.010,15]octacosa-1(26),3,5,7(28),23(27),24-hexaene-17,20-dione
• SMILES: CN1CC(=O)N[C@H]2CN(c3ccc(C(=O)N4CCCCC4)cn3)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O
• InChI: InChI=1S/C35H41N5O5/c1-38-23-33(41)37-30-22-40(32-13-12-27(21-36-32)35(43)39-16-3-2-4-17-39)18-15-31(30)44-24-26-8-6-10-29(20-26)45-28-9-5-7-25(19-28)11-14-34(38)42/h5-10,12-13,19-21,30-31H,2-4,11,14-18,22-24H2,1H3,(H,37,41)/t30-,31+/m0/s1
• InChIKey: BDPQARHCHHNNKE-IOWSJCHKSA-N
• XLogP: 4.18
• TPSA: 104.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	611.74
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (10R,15S)-19-methyl-13-[5-(piperidine-1-carbonyl)-2-pyridinyl]-2,9-dioxa-13,16,19-triazatetracyclo[21.3.1.13,7.010,15]octacosa-1(26),3,5,7(28),23(27),24-hexaene-17,20-dione?

The IUPAC name of (10R,15S)-19-methyl-13-[5-(piperidine-1-carbonyl)-2-pyridinyl]-2,9-dioxa-13,16,19-triazatetracyclo[21.3.1.13,7.010,15]octacosa-1(26),3,5,7(28),23(27),24-hexaene-17,20-dione (CID 131896760) is (10R,15S)-19-methyl-13-[5-(piperidine-1-carbonyl)-2-pyridinyl]-2,9-dioxa-13,16,19-triazatetracyclo[21.3.1.13,7.010,15]octacosa-1(26),3,5,7(28),23(27),24-hexaene-17,20-dione.

What is the SMILES notation for (10R,15S)-19-methyl-13-[5-(piperidine-1-carbonyl)-2-pyridinyl]-2,9-dioxa-13,16,19-triazatetracyclo[21.3.1.13,7.010,15]octacosa-1(26),3,5,7(28),23(27),24-hexaene-17,20-dione?

The canonical SMILES for (10R,15S)-19-methyl-13-[5-(piperidine-1-carbonyl)-2-pyridinyl]-2,9-dioxa-13,16,19-triazatetracyclo[21.3.1.13,7.010,15]octacosa-1(26),3,5,7(28),23(27),24-hexaene-17,20-dione is CN1CC(=O)N[C@H]2CN(c3ccc(C(=O)N4CCCCC4)cn3)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O.

What is the InChIKey of (10R,15S)-19-methyl-13-[5-(piperidine-1-carbonyl)-2-pyridinyl]-2,9-dioxa-13,16,19-triazatetracyclo[21.3.1.13,7.010,15]octacosa-1(26),3,5,7(28),23(27),24-hexaene-17,20-dione?

The InChIKey is BDPQARHCHHNNKE-IOWSJCHKSA-N. The full InChI is InChI=1S/C35H41N5O5/c1-38-23-33(41)37-30-22-40(32-13-12-27(21-36-32)35(43)39-16-3-2-4-17-39)18-15-31(30)44-24-26-8-6-10-29(20-26)45-28-9-5-7-25(19-28)11-14-34(38)42/h5-10,12-13,19-21,30-31H,2-4,11,14-18,22-24H2,1H3,(H,37,41)/t30-,31+/m0/s1.

What are the key properties of (10R,15S)-19-methyl-13-[5-(piperidine-1-carbonyl)-2-pyridinyl]-2,9-dioxa-13,16,19-triazatetracyclo[21.3.1.13,7.010,15]octacosa-1(26),3,5,7(28),23(27),24-hexaene-17,20-dione?

(10R,15S)-19-methyl-13-[5-(piperidine-1-carbonyl)-2-pyridinyl]-2,9-dioxa-13,16,19-triazatetracyclo[21.3.1.13,7.010,15]octacosa-1(26),3,5,7(28),23(27),24-hexaene-17,20-dione has a molecular weight of 611.74 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (10R,15S)-19-methyl-13-[5-(piperidine-1-carbonyl)-2-pyridinyl]-2,9-dioxa-13,16,19-triazatetracyclo[21.3.1.13,7.010,15]octacosa-1(26),3,5,7(28),23(27),24-hexaene-17,20-dione is sourced from PubChem (CID 131896760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).