N,N'-bis[1-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]propan-2-yl]decanediamide

C46H50N8O4 — CID 177498164

IUPACN,N'-bis[1-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]propan-2-yl]decanediamide
SMILESCC(COc1cc(-c2ccccn2)nc(-c2ccccn2)c1)NC(=O)CCCCCCCCC(=O)NC(C)COc1cc(-c2ccccn2)nc(-c2ccccn2)c1
InChIInChI=1S/C46H50N8O4/c1-33(31-57-35-27-41(37-17-9-13-23-47-37)53-42(28-35)38-18-10-14-24-48-38)51-45(55)21-7-5-3-4-6-8-22-46(56)52-34(2)32-58-36-29-43(39-19-11-15-25-49-39)54-44(30-36)40-20-12-16-26-50-40/h9-20,23-30,33-34H,3-8,21-22,31-32H2,1-2H3,(H,51,55)(H,52,56)
InChIKeyJSONOLALQYHMHY-UHFFFAOYSA-N
MW778.96 g/mol
LogP8.31
Rot. Bonds21

About N,N'-bis[1-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]propan-2-yl]decanediamide

N,N'-bis[1-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]propan-2-yl]decanediamide (PubChem CID 177498164) has the molecular formula C46H50N8O4 and a molecular weight of 778.96 g/mol. Its IUPAC name is N,N'-bis[1-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]propan-2-yl]decanediamide.

Molecular Properties

Compound NameN,N'-bis[1-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]propan-2-yl]decanediamide
PubChem CID177498164
Molecular FormulaC46H50N8O4
Molecular Weight778.96 g/mol
Exact Mass778.40
IUPAC NameN,N'-bis[1-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]propan-2-yl]decanediamide
SMILESCC(COc1cc(-c2ccccn2)nc(-c2ccccn2)c1)NC(=O)CCCCCCCCC(=O)NC(C)COc1cc(-c2ccccn2)nc(-c2ccccn2)c1
InChIInChI=1S/C46H50N8O4/c1-33(31-57-35-27-41(37-17-9-13-23-47-37)53-42(28-35)38-18-10-14-24-48-38)51-45(55)21-7-5-3-4-6-8-22-46(56)52-34(2)32-58-36-29-43(39-19-11-15-25-49-39)54-44(30-36)40-20-12-16-26-50-40/h9-20,23-30,33-34H,3-8,21-22,31-32H2,1-2H3,(H,51,55)(H,52,56)
InChIKeyJSONOLALQYHMHY-UHFFFAOYSA-N
XLogP8.31
TPSA154.00 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds21
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.96
LogP ≤ 58.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methoxyethoxy)-2,6-dipyridin-2-ylpyridine
CID 14879099
N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]octanamide
CID 177491389
4-hydroxy-N-[1-(4-methylphenoxy)propan-2-yl]butanamide
CID 79192194
4-[3-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]-2-[(2,6-dipyridin-2-yl-4-pyridinyl)oxymethyl]-2-methylpropoxy]-2,6-dipyridin-2-ylpyridine
CID 101459998
N-[1,7-bis(phenylmethoxy)-4-(3-phenylmethoxypropyl)heptan-4-yl]-4-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]butanamide
CID 101244575
3-(4-methoxyphenyl)-N-[(2R)-1-phenoxypropan-2-yl]propanamide
CID 94625030
N-[1-(4-methylphenoxy)propan-2-yl]-2-naphthalen-2-yloxyacetamide
CID 132652959
N-butan-2-yl-2-quinolin-6-yloxyacetamide
CID 47453985
3-(4-methyl-6-pyridin-2-ylpyrimidin-2-yl)butanoic acid
CID 116894218
2-(4-methyl-6-oxo-2-pyridin-2-yl-1H-pyrimidin-5-yl)-N-[(2R)-pentan-2-yl]acetamide
CID 136902573
methyl (2R)-2-[[9-(hydroxyamino)-9-oxononanoyl]amino]-3-pyridin-2-ylpropanoate
CID 25225123
N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide
CID 69251322

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[1-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]propan-2-yl]decanediamide?
The IUPAC name of N,N'-bis[1-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]propan-2-yl]decanediamide (CID 177498164) is N,N'-bis[1-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]propan-2-yl]decanediamide.
What is the SMILES notation for N,N'-bis[1-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]propan-2-yl]decanediamide?
The canonical SMILES for N,N'-bis[1-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]propan-2-yl]decanediamide is CC(COc1cc(-c2ccccn2)nc(-c2ccccn2)c1)NC(=O)CCCCCCCCC(=O)NC(C)COc1cc(-c2ccccn2)nc(-c2ccccn2)c1.
What is the InChIKey of N,N'-bis[1-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]propan-2-yl]decanediamide?
The InChIKey is JSONOLALQYHMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H50N8O4/c1-33(31-57-35-27-41(37-17-9-13-23-47-37)53-42(28-35)38-18-10-14-24-48-38)51-45(55)21-7-5-3-4-6-8-22-46(56)52-34(2)32-58-36-29-43(39-19-11-15-25-49-39)54-44(30-36)40-20-12-16-26-50-40/h9-20,23-30,33-34H,3-8,21-22,31-32H2,1-2H3,(H,51,55)(H,52,56).
What are the key properties of N,N'-bis[1-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]propan-2-yl]decanediamide?
N,N'-bis[1-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]propan-2-yl]decanediamide has a molecular weight of 778.96 g/mol, XLogP of 8.31, 21 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[1-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]propan-2-yl]decanediamide is sourced from PubChem (CID 177498164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).