1-N-[2-[bis[2-[[3-hydroxy-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxopyridine-4-carbonyl]amino]ethyl]amino]ethyl]-2,3-dihydroxy-4-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]benzene-1,4-dicarboxamide

C67H95N7O23 — CID 102214123

IUPAC1-N-[2-[bis[2-[[3-hydroxy-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxopyridine-4-carbonyl]amino]ethyl]amino]ethyl]-2,3-dihydroxy-4-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]benzene-1,4-dicarboxamide
SMILESCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c1ccc(C(=O)NCCN(CCNC(=O)c2cc(C)n(Cc3ccc(OC)cc3)c(=O)c2O)CCNC(=O)c2cc(C)n(Cc3ccc(OC)cc3)c(=O)c2O)c(O)c1O
InChIInChI=1S/C67H95N7O23/c1-48-44-56(60(77)66(83)73(48)46-50-6-10-52(86-4)11-7-50)64(81)69-17-21-72(22-18-70-65(82)57-45-49(2)74(67(84)61(57)78)47-51-8-12-53(87-5)13-9-51)20-16-68-62(79)54-14-15-55(59(76)58(54)75)63(80)71-19-23-88-26-27-90-30-31-92-34-35-94-38-39-96-42-43-97-41-40-95-37-36-93-33-32-91-29-28-89-25-24-85-3/h6-15,44-45,75-78H,16-43,46-47H2,1-5H3,(H,68,79)(H,69,81)(H,70,82)(H,71,80)
InChIKeyAOZLTERIYDNGLB-UHFFFAOYSA-N
MW1366.52 g/mol
LogP2.00
Rot. Bonds52

About 1-N-[2-[bis[2-[[3-hydroxy-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxopyridine-4-carbonyl]amino]ethyl]amino]ethyl]-2,3-dihydroxy-4-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]benzene-1,4-dicarboxamide

1-N-[2-[bis[2-[[3-hydroxy-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxopyridine-4-carbonyl]amino]ethyl]amino]ethyl]-2,3-dihydroxy-4-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]benzene-1,4-dicarboxamide (PubChem CID 102214123) has the molecular formula C67H95N7O23 and a molecular weight of 1366.52 g/mol. Its IUPAC name is 1-N-[2-[bis[2-[[3-hydroxy-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxopyridine-4-carbonyl]amino]ethyl]amino]ethyl]-2,3-dihydroxy-4-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-[bis[2-[[3-hydroxy-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxopyridine-4-carbonyl]amino]ethyl]amino]ethyl]-2,3-dihydroxy-4-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]benzene-1,4-dicarboxamide
PubChem CID102214123
Molecular FormulaC67H95N7O23
Molecular Weight1366.52 g/mol
Exact Mass1365.65
IUPAC Name1-N-[2-[bis[2-[[3-hydroxy-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxopyridine-4-carbonyl]amino]ethyl]amino]ethyl]-2,3-dihydroxy-4-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]benzene-1,4-dicarboxamide
SMILESCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c1ccc(C(=O)NCCN(CCNC(=O)c2cc(C)n(Cc3ccc(OC)cc3)c(=O)c2O)CCNC(=O)c2cc(C)n(Cc3ccc(OC)cc3)c(=O)c2O)c(O)c1O
InChIInChI=1S/C67H95N7O23/c1-48-44-56(60(77)66(83)73(48)46-50-6-10-52(86-4)11-7-50)64(81)69-17-21-72(22-18-70-65(82)57-45-49(2)74(67(84)61(57)78)47-51-8-12-53(87-5)13-9-51)20-16-68-62(79)54-14-15-55(59(76)58(54)75)63(80)71-19-23-88-26-27-90-30-31-92-34-35-94-38-39-96-42-43-97-41-40-95-37-36-93-33-32-91-29-28-89-25-24-85-3/h6-15,44-45,75-78H,16-43,46-47H2,1-5H3,(H,68,79)(H,69,81)(H,70,82)(H,71,80)
InChIKeyAOZLTERIYDNGLB-UHFFFAOYSA-N
XLogP2.00
TPSA364.55 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds52
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001366.52
LogP ≤ 52.00
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 1-N-[2-[bis[2-[[3-hydroxy-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxopyridine-4-carbonyl]amino]ethyl]amino]ethyl]-2,3-dihydroxy-4-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]benzene-1,4-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-N-[2-[bis[2-[[3-hydroxy-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxopyridine-4-carbonyl]amino]ethyl]amino]ethyl]-2,3-dihydroxy-4-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-[2-[bis[2-[[3-hydroxy-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxopyridine-4-carbonyl]amino]ethyl]amino]ethyl]-2,3-dihydroxy-4-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]benzene-1,4-dicarboxamide (CID 102214123) is 1-N-[2-[bis[2-[[3-hydroxy-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxopyridine-4-carbonyl]amino]ethyl]amino]ethyl]-2,3-dihydroxy-4-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[2-[bis[2-[[3-hydroxy-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxopyridine-4-carbonyl]amino]ethyl]amino]ethyl]-2,3-dihydroxy-4-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-[2-[bis[2-[[3-hydroxy-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxopyridine-4-carbonyl]amino]ethyl]amino]ethyl]-2,3-dihydroxy-4-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]benzene-1,4-dicarboxamide is COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c1ccc(C(=O)NCCN(CCNC(=O)c2cc(C)n(Cc3ccc(OC)cc3)c(=O)c2O)CCNC(=O)c2cc(C)n(Cc3ccc(OC)cc3)c(=O)c2O)c(O)c1O.
What is the InChIKey of 1-N-[2-[bis[2-[[3-hydroxy-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxopyridine-4-carbonyl]amino]ethyl]amino]ethyl]-2,3-dihydroxy-4-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]benzene-1,4-dicarboxamide?
The InChIKey is AOZLTERIYDNGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H95N7O23/c1-48-44-56(60(77)66(83)73(48)46-50-6-10-52(86-4)11-7-50)64(81)69-17-21-72(22-18-70-65(82)57-45-49(2)74(67(84)61(57)78)47-51-8-12-53(87-5)13-9-51)20-16-68-62(79)54-14-15-55(59(76)58(54)75)63(80)71-19-23-88-26-27-90-30-31-92-34-35-94-38-39-96-42-43-97-41-40-95-37-36-93-33-32-91-29-28-89-25-24-85-3/h6-15,44-45,75-78H,16-43,46-47H2,1-5H3,(H,68,79)(H,69,81)(H,70,82)(H,71,80).
What are the key properties of 1-N-[2-[bis[2-[[3-hydroxy-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxopyridine-4-carbonyl]amino]ethyl]amino]ethyl]-2,3-dihydroxy-4-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]benzene-1,4-dicarboxamide?
1-N-[2-[bis[2-[[3-hydroxy-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxopyridine-4-carbonyl]amino]ethyl]amino]ethyl]-2,3-dihydroxy-4-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]benzene-1,4-dicarboxamide has a molecular weight of 1366.52 g/mol, XLogP of 2.00, 52 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-[bis[2-[[3-hydroxy-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxopyridine-4-carbonyl]amino]ethyl]amino]ethyl]-2,3-dihydroxy-4-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 102214123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).