(3R,8R)-6-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-14-methoxy-2,12-dioxa-6,9,20-triazatetracyclo[20.2.2.213,16.03,8]octacosa-1(25),13,15,22(26),23,27-hexaene-10,19-dione;formic acid

C33H38N4O9 — CID 171707276

About (3R,8R)-6-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-14-methoxy-2,12-dioxa-6,9,20-triazatetracyclo[20.2.2.213,16.03,8]octacosa-1(25),13,15,22(26),23,27-hexaene-10,19-dione;formic acid

(3R,8R)-6-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-14-methoxy-2,12-dioxa-6,9,20-triazatetracyclo[20.2.2.213,16.03,8]octacosa-1(25),13,15,22(26),23,27-hexaene-10,19-dione;formic acid (PubChem CID 171707276) has the molecular formula C33H38N4O9 and a molecular weight of 634.69 g/mol. Its IUPAC name is (3R,8R)-6-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-14-methoxy-2,12-dioxa-6,9,20-triazatetracyclo[20.2.2.213,16.03,8]octacosa-1(25),13,15,22(26),23,27-hexaene-10,19-dione;formic acid.

Molecular Properties

• Compound Name: (3R,8R)-6-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-14-methoxy-2,12-dioxa-6,9,20-triazatetracyclo[20.2.2.213,16.03,8]octacosa-1(25),13,15,22(26),23,27-hexaene-10,19-dione;formic acid
• PubChem CID: 171707276
• Molecular Formula: C33H38N4O9
• Molecular Weight: 634.69 g/mol
• Exact Mass: 634.26
• IUPAC Name: (3R,8R)-6-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-14-methoxy-2,12-dioxa-6,9,20-triazatetracyclo[20.2.2.213,16.03,8]octacosa-1(25),13,15,22(26),23,27-hexaene-10,19-dione;formic acid
• SMILES: COc1cc2ccc1OCC(=O)N[C@@H]1CN(C(=O)c3c(C)cc(C)[nH]c3=O)CC[C@H]1Oc1ccc(cc1)CNC(=O)CC2.O=CO
• InChI: InChI=1S/C32H36N4O7.CH2O2/c1-19-14-20(2)34-31(39)30(19)32(40)36-13-12-25-24(17-36)35-29(38)18-42-26-10-6-21(15-27(26)41-3)7-11-28(37)33-16-22-4-8-23(43-25)9-5-22;2-1-3/h4-6,8-10,14-15,24-25H,7,11-13,16-18H2,1-3H3,(H,33,37)(H,34,39)(H,35,38);1H,(H,2,3)/t24-,25-;/m1./s1
• InChIKey: LEEOIXYHESWKTQ-JIMLSGQQSA-N
• XLogP: 2.12
• TPSA: 176.36 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	634.69
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3R,8R)-6-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-14-methoxy-2,12-dioxa-6,9,20-triazatetracyclo[20.2.2.213,16.03,8]octacosa-1(25),13,15,22(26),23,27-hexaene-10,19-dione;formic acid?

The IUPAC name of (3R,8R)-6-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-14-methoxy-2,12-dioxa-6,9,20-triazatetracyclo[20.2.2.213,16.03,8]octacosa-1(25),13,15,22(26),23,27-hexaene-10,19-dione;formic acid (CID 171707276) is (3R,8R)-6-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-14-methoxy-2,12-dioxa-6,9,20-triazatetracyclo[20.2.2.213,16.03,8]octacosa-1(25),13,15,22(26),23,27-hexaene-10,19-dione;formic acid.

What is the SMILES notation for (3R,8R)-6-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-14-methoxy-2,12-dioxa-6,9,20-triazatetracyclo[20.2.2.213,16.03,8]octacosa-1(25),13,15,22(26),23,27-hexaene-10,19-dione;formic acid?

The canonical SMILES for (3R,8R)-6-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-14-methoxy-2,12-dioxa-6,9,20-triazatetracyclo[20.2.2.213,16.03,8]octacosa-1(25),13,15,22(26),23,27-hexaene-10,19-dione;formic acid is COc1cc2ccc1OCC(=O)N[C@@H]1CN(C(=O)c3c(C)cc(C)[nH]c3=O)CC[C@H]1Oc1ccc(cc1)CNC(=O)CC2.O=CO.

What is the InChIKey of (3R,8R)-6-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-14-methoxy-2,12-dioxa-6,9,20-triazatetracyclo[20.2.2.213,16.03,8]octacosa-1(25),13,15,22(26),23,27-hexaene-10,19-dione;formic acid?

The InChIKey is LEEOIXYHESWKTQ-JIMLSGQQSA-N. The full InChI is InChI=1S/C32H36N4O7.CH2O2/c1-19-14-20(2)34-31(39)30(19)32(40)36-13-12-25-24(17-36)35-29(38)18-42-26-10-6-21(15-27(26)41-3)7-11-28(37)33-16-22-4-8-23(43-25)9-5-22;2-1-3/h4-6,8-10,14-15,24-25H,7,11-13,16-18H2,1-3H3,(H,33,37)(H,34,39)(H,35,38);1H,(H,2,3)/t24-,25-;/m1./s1.

What are the key properties of (3R,8R)-6-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-14-methoxy-2,12-dioxa-6,9,20-triazatetracyclo[20.2.2.213,16.03,8]octacosa-1(25),13,15,22(26),23,27-hexaene-10,19-dione;formic acid?

(3R,8R)-6-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-14-methoxy-2,12-dioxa-6,9,20-triazatetracyclo[20.2.2.213,16.03,8]octacosa-1(25),13,15,22(26),23,27-hexaene-10,19-dione;formic acid has a molecular weight of 634.69 g/mol, XLogP of 2.12, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,8R)-6-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-14-methoxy-2,12-dioxa-6,9,20-triazatetracyclo[20.2.2.213,16.03,8]octacosa-1(25),13,15,22(26),23,27-hexaene-10,19-dione;formic acid is sourced from PubChem (CID 171707276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).