N-(dipyridin-2-ylmethylideneamino)-2,2-diphenylacetamide;N-(dipyridin-2-ylmethylideneamino)octanamide

C44H44N8O2 — CID 157417359

IUPACN-(dipyridin-2-ylmethylideneamino)-2,2-diphenylacetamide;N-(dipyridin-2-ylmethylideneamino)octanamide
SMILESCCCCCCCC(=O)NN=C(c1ccccn1)c1ccccn1.O=C(NN=C(c1ccccn1)c1ccccn1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H20N4O.C19H24N4O/c30-25(23(19-11-3-1-4-12-19)20-13-5-2-6-14-20)29-28-24(21-15-7-9-17-26-21)22-16-8-10-18-27-22;1-2-3-4-5-6-13-18(24)22-23-19(16-11-7-9-14-20-16)17-12-8-10-15-21-17/h1-18,23H,(H,29,30);7-12,14-15H,2-6,13H2,1H3,(H,22,24)
InChIKeyBOZVOGOTEJWQMK-UHFFFAOYSA-N
MW716.89 g/mol
LogP7.88
Rot. Bonds15

About N-(dipyridin-2-ylmethylideneamino)-2,2-diphenylacetamide;N-(dipyridin-2-ylmethylideneamino)octanamide

N-(dipyridin-2-ylmethylideneamino)-2,2-diphenylacetamide;N-(dipyridin-2-ylmethylideneamino)octanamide (PubChem CID 157417359) has the molecular formula C44H44N8O2 and a molecular weight of 716.89 g/mol. Its IUPAC name is N-(dipyridin-2-ylmethylideneamino)-2,2-diphenylacetamide;N-(dipyridin-2-ylmethylideneamino)octanamide.

Molecular Properties

Compound NameN-(dipyridin-2-ylmethylideneamino)-2,2-diphenylacetamide;N-(dipyridin-2-ylmethylideneamino)octanamide
PubChem CID157417359
Molecular FormulaC44H44N8O2
Molecular Weight716.89 g/mol
Exact Mass716.36
IUPAC NameN-(dipyridin-2-ylmethylideneamino)-2,2-diphenylacetamide;N-(dipyridin-2-ylmethylideneamino)octanamide
SMILESCCCCCCCC(=O)NN=C(c1ccccn1)c1ccccn1.O=C(NN=C(c1ccccn1)c1ccccn1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H20N4O.C19H24N4O/c30-25(23(19-11-3-1-4-12-19)20-13-5-2-6-14-20)29-28-24(21-15-7-9-17-26-21)22-16-8-10-18-27-22;1-2-3-4-5-6-13-18(24)22-23-19(16-11-7-9-14-20-16)17-12-8-10-15-21-17/h1-18,23H,(H,29,30);7-12,14-15H,2-6,13H2,1H3,(H,22,24)
InChIKeyBOZVOGOTEJWQMK-UHFFFAOYSA-N
XLogP7.88
TPSA134.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.89
LogP ≤ 57.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Di-2-pyridyl ketone benzoylhydrazone
CID 688285
2,2-diphenyl-N'-[1-(2-pyridinyl)ethylidene]acetohydrazide
CID 6949302
2-phenyl-N'-[(1E)-1-(pyridin-3-yl)ethylidene]butanehydrazide
CID 25237434
US10251893, Cpd 87
CID 46926974
2,2-diphenyl-N'-(2-pyridinylmethylene)cyclopropanecarbohydrazide
CID 9606796
US10251893, Cpd 136
CID 46927212
US10251893, Cpd 157
CID 46927293
US10251893, Cpd 85
CID 58447703
US10251893, Cpd 154
CID 58447892
N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide
CID 139170858
(4R)-4-methyl-3-[4-(pyridin-2-ylmethylideneamino)phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 76318750
N'-[2-(3-fluoro-5-pyridin-3-ylphenyl)propanoyl]-2-[3-methyl-5-(2-methyl-4-pyridinyl)phenyl]-N,N'-bis[4-(2-methyl-4-pyridinyl)phenyl]propanehydrazide
CID 67308254

Frequently Asked Questions

What is the IUPAC name of N-(dipyridin-2-ylmethylideneamino)-2,2-diphenylacetamide;N-(dipyridin-2-ylmethylideneamino)octanamide?
The IUPAC name of N-(dipyridin-2-ylmethylideneamino)-2,2-diphenylacetamide;N-(dipyridin-2-ylmethylideneamino)octanamide (CID 157417359) is N-(dipyridin-2-ylmethylideneamino)-2,2-diphenylacetamide;N-(dipyridin-2-ylmethylideneamino)octanamide.
What is the SMILES notation for N-(dipyridin-2-ylmethylideneamino)-2,2-diphenylacetamide;N-(dipyridin-2-ylmethylideneamino)octanamide?
The canonical SMILES for N-(dipyridin-2-ylmethylideneamino)-2,2-diphenylacetamide;N-(dipyridin-2-ylmethylideneamino)octanamide is CCCCCCCC(=O)NN=C(c1ccccn1)c1ccccn1.O=C(NN=C(c1ccccn1)c1ccccn1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(dipyridin-2-ylmethylideneamino)-2,2-diphenylacetamide;N-(dipyridin-2-ylmethylideneamino)octanamide?
The InChIKey is BOZVOGOTEJWQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O.C19H24N4O/c30-25(23(19-11-3-1-4-12-19)20-13-5-2-6-14-20)29-28-24(21-15-7-9-17-26-21)22-16-8-10-18-27-22;1-2-3-4-5-6-13-18(24)22-23-19(16-11-7-9-14-20-16)17-12-8-10-15-21-17/h1-18,23H,(H,29,30);7-12,14-15H,2-6,13H2,1H3,(H,22,24).
What are the key properties of N-(dipyridin-2-ylmethylideneamino)-2,2-diphenylacetamide;N-(dipyridin-2-ylmethylideneamino)octanamide?
N-(dipyridin-2-ylmethylideneamino)-2,2-diphenylacetamide;N-(dipyridin-2-ylmethylideneamino)octanamide has a molecular weight of 716.89 g/mol, XLogP of 7.88, 15 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dipyridin-2-ylmethylideneamino)-2,2-diphenylacetamide;N-(dipyridin-2-ylmethylideneamino)octanamide is sourced from PubChem (CID 157417359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).