(3R,8S)-22-methoxy-14-methyl-6-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(23),11(26),12,14,21,24-hexaene-10,18-dione

C30H32N4O7 — CID 165426067

About (3R,8S)-22-methoxy-14-methyl-6-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(23),11(26),12,14,21,24-hexaene-10,18-dione

(3R,8S)-22-methoxy-14-methyl-6-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(23),11(26),12,14,21,24-hexaene-10,18-dione (PubChem CID 165426067) has the molecular formula C30H32N4O7 and a molecular weight of 560.61 g/mol. Its IUPAC name is (3R,8S)-22-methoxy-14-methyl-6-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(23),11(26),12,14,21,24-hexaene-10,18-dione.

Molecular Properties

• Compound Name: (3R,8S)-22-methoxy-14-methyl-6-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(23),11(26),12,14,21,24-hexaene-10,18-dione
• PubChem CID: 165426067
• Molecular Formula: C30H32N4O7
• Molecular Weight: 560.61 g/mol
• Exact Mass: 560.23
• IUPAC Name: (3R,8S)-22-methoxy-14-methyl-6-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(23),11(26),12,14,21,24-hexaene-10,18-dione
• SMILES: COc1cc2ccc1CNC(=O)COc1cc(ccc1C)C(=O)N[C@H]1CN(C(=O)c3ccc(C)[nH]c3=O)CC[C@H]1O2
• InChI: InChI=1S/C30H32N4O7/c1-17-4-6-19-12-25(17)40-16-27(35)31-14-20-7-8-21(13-26(20)39-3)41-24-10-11-34(15-23(24)33-28(19)36)30(38)22-9-5-18(2)32-29(22)37/h4-9,12-13,23-24H,10-11,14-16H2,1-3H3,(H,31,35)(H,32,37)(H,33,36)/t23-,24+/m0/s1
• InChIKey: KXPBUYRPVDLXTO-BJKOFHAPSA-N
• XLogP: 2.10
• TPSA: 139.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	560.61
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (3R,8S)-22-methoxy-14-methyl-6-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(23),11(26),12,14,21,24-hexaene-10,18-dione?

The IUPAC name of (3R,8S)-22-methoxy-14-methyl-6-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(23),11(26),12,14,21,24-hexaene-10,18-dione (CID 165426067) is (3R,8S)-22-methoxy-14-methyl-6-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(23),11(26),12,14,21,24-hexaene-10,18-dione.

What is the SMILES notation for (3R,8S)-22-methoxy-14-methyl-6-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(23),11(26),12,14,21,24-hexaene-10,18-dione?

The canonical SMILES for (3R,8S)-22-methoxy-14-methyl-6-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(23),11(26),12,14,21,24-hexaene-10,18-dione is COc1cc2ccc1CNC(=O)COc1cc(ccc1C)C(=O)N[C@H]1CN(C(=O)c3ccc(C)[nH]c3=O)CC[C@H]1O2.

What is the InChIKey of (3R,8S)-22-methoxy-14-methyl-6-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(23),11(26),12,14,21,24-hexaene-10,18-dione?

The InChIKey is KXPBUYRPVDLXTO-BJKOFHAPSA-N. The full InChI is InChI=1S/C30H32N4O7/c1-17-4-6-19-12-25(17)40-16-27(35)31-14-20-7-8-21(13-26(20)39-3)41-24-10-11-34(15-23(24)33-28(19)36)30(38)22-9-5-18(2)32-29(22)37/h4-9,12-13,23-24H,10-11,14-16H2,1-3H3,(H,31,35)(H,32,37)(H,33,36)/t23-,24+/m0/s1.

What are the key properties of (3R,8S)-22-methoxy-14-methyl-6-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(23),11(26),12,14,21,24-hexaene-10,18-dione?

(3R,8S)-22-methoxy-14-methyl-6-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(23),11(26),12,14,21,24-hexaene-10,18-dione has a molecular weight of 560.61 g/mol, XLogP of 2.10, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,8S)-22-methoxy-14-methyl-6-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(23),11(26),12,14,21,24-hexaene-10,18-dione is sourced from PubChem (CID 165426067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).