2-N,6-N-bis[3-[13-(2,6-dimethylphenyl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]phenyl]pyridine-2,6-dicarboxamide

C63H39N7O10 — CID 58528154

IUPAC2-N,6-N-bis[3-[13-(2,6-dimethylphenyl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]phenyl]pyridine-2,6-dicarboxamide
SMILESCc1cccc(C)c1N1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(=O)N(c1cccc(NC(=O)c2cccc(C(=O)Nc4cccc(N5C(=O)c6ccc7c8c(ccc(c68)C5=O)C(=O)N(c5c(C)cccc5C)C7=O)c4)n2)c1)C3=O
InChIInChI=1S/C63H39N7O10/c1-30-10-5-11-31(2)52(30)69-60(77)42-24-20-38-48-39(21-25-43(50(42)48)61(69)78)57(74)67(56(38)73)36-16-7-14-34(28-36)64-54(71)46-18-9-19-47(66-46)55(72)65-35-15-8-17-37(29-35)68-58(75)40-22-26-44-51-45(27-23-41(49(40)51)59(68)76)63(80)70(62(44)79)53-32(3)12-6-13-33(53)4/h5-29H,1-4H3,(H,64,71)(H,65,72)
InChIKeyCAPWZIUQEHFVDR-UHFFFAOYSA-N
MW1054.04 g/mol
LogP10.33
Rot. Bonds8

About 2-N,6-N-bis[3-[13-(2,6-dimethylphenyl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]phenyl]pyridine-2,6-dicarboxamide

2-N,6-N-bis[3-[13-(2,6-dimethylphenyl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]phenyl]pyridine-2,6-dicarboxamide (PubChem CID 58528154) has the molecular formula C63H39N7O10 and a molecular weight of 1054.04 g/mol. Its IUPAC name is 2-N,6-N-bis[3-[13-(2,6-dimethylphenyl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]phenyl]pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-bis[3-[13-(2,6-dimethylphenyl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]phenyl]pyridine-2,6-dicarboxamide
PubChem CID58528154
Molecular FormulaC63H39N7O10
Molecular Weight1054.04 g/mol
Exact Mass1053.28
IUPAC Name2-N,6-N-bis[3-[13-(2,6-dimethylphenyl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]phenyl]pyridine-2,6-dicarboxamide
SMILESCc1cccc(C)c1N1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(=O)N(c1cccc(NC(=O)c2cccc(C(=O)Nc4cccc(N5C(=O)c6ccc7c8c(ccc(c68)C5=O)C(=O)N(c5c(C)cccc5C)C7=O)c4)n2)c1)C3=O
InChIInChI=1S/C63H39N7O10/c1-30-10-5-11-31(2)52(30)69-60(77)42-24-20-38-48-39(21-25-43(50(42)48)61(69)78)57(74)67(56(38)73)36-16-7-14-34(28-36)64-54(71)46-18-9-19-47(66-46)55(72)65-35-15-8-17-37(29-35)68-58(75)40-22-26-44-51-45(27-23-41(49(40)51)59(68)76)63(80)70(62(44)79)53-32(3)12-6-13-33(53)4/h5-29H,1-4H3,(H,64,71)(H,65,72)
InChIKeyCAPWZIUQEHFVDR-UHFFFAOYSA-N
XLogP10.33
TPSA220.61 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001054.04
LogP ≤ 510.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 2-N,6-N-bis[3-[13-(2,6-dimethylphenyl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]phenyl]pyridine-2,6-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis[3-[13-(2,6-dimethylphenyl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]phenyl]pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-bis[3-[13-(2,6-dimethylphenyl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]phenyl]pyridine-2,6-dicarboxamide (CID 58528154) is 2-N,6-N-bis[3-[13-(2,6-dimethylphenyl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]phenyl]pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-bis[3-[13-(2,6-dimethylphenyl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]phenyl]pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-bis[3-[13-(2,6-dimethylphenyl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]phenyl]pyridine-2,6-dicarboxamide is Cc1cccc(C)c1N1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(=O)N(c1cccc(NC(=O)c2cccc(C(=O)Nc4cccc(N5C(=O)c6ccc7c8c(ccc(c68)C5=O)C(=O)N(c5c(C)cccc5C)C7=O)c4)n2)c1)C3=O.
What is the InChIKey of 2-N,6-N-bis[3-[13-(2,6-dimethylphenyl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]phenyl]pyridine-2,6-dicarboxamide?
The InChIKey is CAPWZIUQEHFVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39N7O10/c1-30-10-5-11-31(2)52(30)69-60(77)42-24-20-38-48-39(21-25-43(50(42)48)61(69)78)57(74)67(56(38)73)36-16-7-14-34(28-36)64-54(71)46-18-9-19-47(66-46)55(72)65-35-15-8-17-37(29-35)68-58(75)40-22-26-44-51-45(27-23-41(49(40)51)59(68)76)63(80)70(62(44)79)53-32(3)12-6-13-33(53)4/h5-29H,1-4H3,(H,64,71)(H,65,72).
What are the key properties of 2-N,6-N-bis[3-[13-(2,6-dimethylphenyl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]phenyl]pyridine-2,6-dicarboxamide?
2-N,6-N-bis[3-[13-(2,6-dimethylphenyl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]phenyl]pyridine-2,6-dicarboxamide has a molecular weight of 1054.04 g/mol, XLogP of 10.33, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis[3-[13-(2,6-dimethylphenyl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]phenyl]pyridine-2,6-dicarboxamide is sourced from PubChem (CID 58528154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).