6-[[18-[(6-carboxy-2-pyridinyl)methyl]-2,8,15,21-tetraoxa-5,18-diazatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaen-5-yl]methyl]pyridine-2-carboxylic acid

C34H36N4O8 — CID 166147362

IUPAC6-[[18-[(6-carboxy-2-pyridinyl)methyl]-2,8,15,21-tetraoxa-5,18-diazatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaen-5-yl]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(CN2CCOc3ccccc3OCCN(Cc3cccc(C(=O)O)n3)CCOc3ccccc3OCC2)n1
InChIInChI=1S/C34H36N4O8/c39-33(40)27-9-5-7-25(35-27)23-37-15-19-43-29-11-1-2-12-30(29)44-20-16-38(24-26-8-6-10-28(36-26)34(41)42)18-22-46-32-14-4-3-13-31(32)45-21-17-37/h1-14H,15-24H2,(H,39,40)(H,41,42)
InChIKeyBOTUKFGREOPYRA-UHFFFAOYSA-N
MW628.68 g/mol
LogP4.11
Rot. Bonds6

About 6-[[18-[(6-carboxy-2-pyridinyl)methyl]-2,8,15,21-tetraoxa-5,18-diazatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaen-5-yl]methyl]pyridine-2-carboxylic acid

6-[[18-[(6-carboxy-2-pyridinyl)methyl]-2,8,15,21-tetraoxa-5,18-diazatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaen-5-yl]methyl]pyridine-2-carboxylic acid (PubChem CID 166147362) has the molecular formula C34H36N4O8 and a molecular weight of 628.68 g/mol. Its IUPAC name is 6-[[18-[(6-carboxy-2-pyridinyl)methyl]-2,8,15,21-tetraoxa-5,18-diazatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaen-5-yl]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[18-[(6-carboxy-2-pyridinyl)methyl]-2,8,15,21-tetraoxa-5,18-diazatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaen-5-yl]methyl]pyridine-2-carboxylic acid
PubChem CID166147362
Molecular FormulaC34H36N4O8
Molecular Weight628.68 g/mol
Exact Mass628.25
IUPAC Name6-[[18-[(6-carboxy-2-pyridinyl)methyl]-2,8,15,21-tetraoxa-5,18-diazatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaen-5-yl]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(CN2CCOc3ccccc3OCCN(Cc3cccc(C(=O)O)n3)CCOc3ccccc3OCC2)n1
InChIInChI=1S/C34H36N4O8/c39-33(40)27-9-5-7-25(35-27)23-37-15-19-43-29-11-1-2-12-30(29)44-20-16-38(24-26-8-6-10-28(36-26)34(41)42)18-22-46-32-14-4-3-13-31(32)45-21-17-37/h1-14H,15-24H2,(H,39,40)(H,41,42)
InChIKeyBOTUKFGREOPYRA-UHFFFAOYSA-N
XLogP4.11
TPSA143.78 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500628.68
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-[[18-[(6-carboxy-2-pyridinyl)methyl]-2,8,15,21-tetraoxa-5,18-diazatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaen-5-yl]methyl]pyridine-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[18-[(6-carboxy-2-pyridinyl)methyl]-2,8,15,21-tetraoxa-5,18-diazatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaen-5-yl]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[18-[(6-carboxy-2-pyridinyl)methyl]-2,8,15,21-tetraoxa-5,18-diazatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaen-5-yl]methyl]pyridine-2-carboxylic acid (CID 166147362) is 6-[[18-[(6-carboxy-2-pyridinyl)methyl]-2,8,15,21-tetraoxa-5,18-diazatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaen-5-yl]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[18-[(6-carboxy-2-pyridinyl)methyl]-2,8,15,21-tetraoxa-5,18-diazatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaen-5-yl]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[18-[(6-carboxy-2-pyridinyl)methyl]-2,8,15,21-tetraoxa-5,18-diazatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaen-5-yl]methyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(CN2CCOc3ccccc3OCCN(Cc3cccc(C(=O)O)n3)CCOc3ccccc3OCC2)n1.
What is the InChIKey of 6-[[18-[(6-carboxy-2-pyridinyl)methyl]-2,8,15,21-tetraoxa-5,18-diazatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaen-5-yl]methyl]pyridine-2-carboxylic acid?
The InChIKey is BOTUKFGREOPYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N4O8/c39-33(40)27-9-5-7-25(35-27)23-37-15-19-43-29-11-1-2-12-30(29)44-20-16-38(24-26-8-6-10-28(36-26)34(41)42)18-22-46-32-14-4-3-13-31(32)45-21-17-37/h1-14H,15-24H2,(H,39,40)(H,41,42).
What are the key properties of 6-[[18-[(6-carboxy-2-pyridinyl)methyl]-2,8,15,21-tetraoxa-5,18-diazatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaen-5-yl]methyl]pyridine-2-carboxylic acid?
6-[[18-[(6-carboxy-2-pyridinyl)methyl]-2,8,15,21-tetraoxa-5,18-diazatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaen-5-yl]methyl]pyridine-2-carboxylic acid has a molecular weight of 628.68 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[18-[(6-carboxy-2-pyridinyl)methyl]-2,8,15,21-tetraoxa-5,18-diazatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaen-5-yl]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 166147362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).