N-(3,3-diphenylpropyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide

C26H24N4O2 — CID 121052463

IUPACN-(3,3-diphenylpropyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(-c2cccnc2)ccc1=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H24N4O2/c31-25(19-30-26(32)14-13-24(29-30)22-12-7-16-27-18-22)28-17-15-23(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-14,16,18,23H,15,17,19H2,(H,28,31)
InChIKeyXCXSJRPBLPLJJQ-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.64
Rot. Bonds8

About N-(3,3-diphenylpropyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide

N-(3,3-diphenylpropyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide (PubChem CID 121052463) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
PubChem CID121052463
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC NameN-(3,3-diphenylpropyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(-c2cccnc2)ccc1=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H24N4O2/c31-25(19-30-26(32)14-13-24(29-30)22-12-7-16-27-18-22)28-17-15-23(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-14,16,18,23H,15,17,19H2,(H,28,31)
InChIKeyXCXSJRPBLPLJJQ-UHFFFAOYSA-N
XLogP3.64
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,3-diphenylpropyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052709
N-(3-hydroxybutyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 111429019
N-(3,3-diphenylpropyl)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050455
2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(2-phenylphenyl)acetamide
CID 121052449
2-(6-oxo-3-phenylpyridazin-1-yl)-N-pyridin-3-ylacetamide
CID 44754046
N-[2-(4-ethoxyphenoxy)ethyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052481
N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517413
2-methoxy-N-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]acetamide
CID 42142535
N-(1,2-oxazol-3-yl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052475
N-butyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 4064418
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121051682
2-(3-methyl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121033306

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide?
The IUPAC name of N-(3,3-diphenylpropyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide (CID 121052463) is N-(3,3-diphenylpropyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide is O=C(Cn1nc(-c2cccnc2)ccc1=O)NCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(3,3-diphenylpropyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide?
The InChIKey is XCXSJRPBLPLJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c31-25(19-30-26(32)14-13-24(29-30)22-12-7-16-27-18-22)28-17-15-23(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-14,16,18,23H,15,17,19H2,(H,28,31).
What are the key properties of N-(3,3-diphenylpropyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide?
N-(3,3-diphenylpropyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide has a molecular weight of 424.50 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide is sourced from PubChem (CID 121052463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).