N'-[3-(1H-indol-4-yl)-5-(2-methyl-6-morpholin-4-ylpyridine-4-carbonyl)phenyl]-N'-[3-(1H-indol-4-yl)-5-(2-morpholin-4-ylpyridine-4-carbonyl)phenyl]butanediamide

C53H48N8O6 — CID 91548617

IUPACN'-[3-(1H-indol-4-yl)-5-(2-methyl-6-morpholin-4-ylpyridine-4-carbonyl)phenyl]-N'-[3-(1H-indol-4-yl)-5-(2-morpholin-4-ylpyridine-4-carbonyl)phenyl]butanediamide
SMILESCc1cc(C(=O)c2cc(-c3cccc4[nH]ccc34)cc(N(C(=O)CCC(N)=O)c3cc(C(=O)c4ccnc(N5CCOCC5)c4)cc(-c4cccc5[nH]ccc45)c3)c2)cc(N2CCOCC2)n1
InChIInChI=1S/C53H48N8O6/c1-33-24-37(32-50(58-33)60-18-22-67-23-19-60)53(65)39-26-36(43-5-3-7-47-45(43)12-15-56-47)28-41(30-39)61(51(63)9-8-48(54)62)40-27-35(42-4-2-6-46-44(42)11-14-55-46)25-38(29-40)52(64)34-10-13-57-49(31-34)59-16-20-66-21-17-59/h2-7,10-15,24-32,55-56H,8-9,16-23H2,1H3,(H2,54,62)
InChIKeyXRORCKAZWVHGOL-UHFFFAOYSA-N
MW893.02 g/mol
LogP8.15
Rot. Bonds13

About N'-[3-(1H-indol-4-yl)-5-(2-methyl-6-morpholin-4-ylpyridine-4-carbonyl)phenyl]-N'-[3-(1H-indol-4-yl)-5-(2-morpholin-4-ylpyridine-4-carbonyl)phenyl]butanediamide

N'-[3-(1H-indol-4-yl)-5-(2-methyl-6-morpholin-4-ylpyridine-4-carbonyl)phenyl]-N'-[3-(1H-indol-4-yl)-5-(2-morpholin-4-ylpyridine-4-carbonyl)phenyl]butanediamide (PubChem CID 91548617) has the molecular formula C53H48N8O6 and a molecular weight of 893.02 g/mol. Its IUPAC name is N'-[3-(1H-indol-4-yl)-5-(2-methyl-6-morpholin-4-ylpyridine-4-carbonyl)phenyl]-N'-[3-(1H-indol-4-yl)-5-(2-morpholin-4-ylpyridine-4-carbonyl)phenyl]butanediamide.

Molecular Properties

Compound NameN'-[3-(1H-indol-4-yl)-5-(2-methyl-6-morpholin-4-ylpyridine-4-carbonyl)phenyl]-N'-[3-(1H-indol-4-yl)-5-(2-morpholin-4-ylpyridine-4-carbonyl)phenyl]butanediamide
PubChem CID91548617
Molecular FormulaC53H48N8O6
Molecular Weight893.02 g/mol
Exact Mass892.37
IUPAC NameN'-[3-(1H-indol-4-yl)-5-(2-methyl-6-morpholin-4-ylpyridine-4-carbonyl)phenyl]-N'-[3-(1H-indol-4-yl)-5-(2-morpholin-4-ylpyridine-4-carbonyl)phenyl]butanediamide
SMILESCc1cc(C(=O)c2cc(-c3cccc4[nH]ccc34)cc(N(C(=O)CCC(N)=O)c3cc(C(=O)c4ccnc(N5CCOCC5)c4)cc(-c4cccc5[nH]ccc45)c3)c2)cc(N2CCOCC2)n1
InChIInChI=1S/C53H48N8O6/c1-33-24-37(32-50(58-33)60-18-22-67-23-19-60)53(65)39-26-36(43-5-3-7-47-45(43)12-15-56-47)28-41(30-39)61(51(63)9-8-48(54)62)40-27-35(42-4-2-6-46-44(42)11-14-55-46)25-38(29-40)52(64)34-10-13-57-49(31-34)59-16-20-66-21-17-59/h2-7,10-15,24-32,55-56H,8-9,16-23H2,1H3,(H2,54,62)
InChIKeyXRORCKAZWVHGOL-UHFFFAOYSA-N
XLogP8.15
TPSA179.84 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500893.02
LogP ≤ 58.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N'-[3-(1H-indol-4-yl)-5-(2-methyl-6-morpholin-4-ylpyridine-4-carbonyl)phenyl]-N'-[3-(1H-indol-4-yl)-5-(2-morpholin-4-ylpyridine-4-carbonyl)phenyl]butanediamide?
The IUPAC name of N'-[3-(1H-indol-4-yl)-5-(2-methyl-6-morpholin-4-ylpyridine-4-carbonyl)phenyl]-N'-[3-(1H-indol-4-yl)-5-(2-morpholin-4-ylpyridine-4-carbonyl)phenyl]butanediamide (CID 91548617) is N'-[3-(1H-indol-4-yl)-5-(2-methyl-6-morpholin-4-ylpyridine-4-carbonyl)phenyl]-N'-[3-(1H-indol-4-yl)-5-(2-morpholin-4-ylpyridine-4-carbonyl)phenyl]butanediamide.
What is the SMILES notation for N'-[3-(1H-indol-4-yl)-5-(2-methyl-6-morpholin-4-ylpyridine-4-carbonyl)phenyl]-N'-[3-(1H-indol-4-yl)-5-(2-morpholin-4-ylpyridine-4-carbonyl)phenyl]butanediamide?
The canonical SMILES for N'-[3-(1H-indol-4-yl)-5-(2-methyl-6-morpholin-4-ylpyridine-4-carbonyl)phenyl]-N'-[3-(1H-indol-4-yl)-5-(2-morpholin-4-ylpyridine-4-carbonyl)phenyl]butanediamide is Cc1cc(C(=O)c2cc(-c3cccc4[nH]ccc34)cc(N(C(=O)CCC(N)=O)c3cc(C(=O)c4ccnc(N5CCOCC5)c4)cc(-c4cccc5[nH]ccc45)c3)c2)cc(N2CCOCC2)n1.
What is the InChIKey of N'-[3-(1H-indol-4-yl)-5-(2-methyl-6-morpholin-4-ylpyridine-4-carbonyl)phenyl]-N'-[3-(1H-indol-4-yl)-5-(2-morpholin-4-ylpyridine-4-carbonyl)phenyl]butanediamide?
The InChIKey is XRORCKAZWVHGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H48N8O6/c1-33-24-37(32-50(58-33)60-18-22-67-23-19-60)53(65)39-26-36(43-5-3-7-47-45(43)12-15-56-47)28-41(30-39)61(51(63)9-8-48(54)62)40-27-35(42-4-2-6-46-44(42)11-14-55-46)25-38(29-40)52(64)34-10-13-57-49(31-34)59-16-20-66-21-17-59/h2-7,10-15,24-32,55-56H,8-9,16-23H2,1H3,(H2,54,62).
What are the key properties of N'-[3-(1H-indol-4-yl)-5-(2-methyl-6-morpholin-4-ylpyridine-4-carbonyl)phenyl]-N'-[3-(1H-indol-4-yl)-5-(2-morpholin-4-ylpyridine-4-carbonyl)phenyl]butanediamide?
N'-[3-(1H-indol-4-yl)-5-(2-methyl-6-morpholin-4-ylpyridine-4-carbonyl)phenyl]-N'-[3-(1H-indol-4-yl)-5-(2-morpholin-4-ylpyridine-4-carbonyl)phenyl]butanediamide has a molecular weight of 893.02 g/mol, XLogP of 8.15, 13 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(1H-indol-4-yl)-5-(2-methyl-6-morpholin-4-ylpyridine-4-carbonyl)phenyl]-N'-[3-(1H-indol-4-yl)-5-(2-morpholin-4-ylpyridine-4-carbonyl)phenyl]butanediamide is sourced from PubChem (CID 91548617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).