N-(3,3-diphenylpropyl)-2-(6-oxo-3-phenylpyridazin-1-yl)propanamide

C28H27N3O2 — CID 121075800

IUPACN-(3,3-diphenylpropyl)-2-(6-oxo-3-phenylpyridazin-1-yl)propanamide
SMILESCC(C(=O)NCCC(c1ccccc1)c1ccccc1)n1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C28H27N3O2/c1-21(31-27(32)18-17-26(30-31)24-15-9-4-10-16-24)28(33)29-20-19-25(22-11-5-2-6-12-22)23-13-7-3-8-14-23/h2-18,21,25H,19-20H2,1H3,(H,29,33)
InChIKeyKOFZRXWQHRJBHA-UHFFFAOYSA-N
MW437.54 g/mol
LogP4.81
Rot. Bonds8

About N-(3,3-diphenylpropyl)-2-(6-oxo-3-phenylpyridazin-1-yl)propanamide

N-(3,3-diphenylpropyl)-2-(6-oxo-3-phenylpyridazin-1-yl)propanamide (PubChem CID 121075800) has the molecular formula C28H27N3O2 and a molecular weight of 437.54 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-2-(6-oxo-3-phenylpyridazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-2-(6-oxo-3-phenylpyridazin-1-yl)propanamide
PubChem CID121075800
Molecular FormulaC28H27N3O2
Molecular Weight437.54 g/mol
Exact Mass437.21
IUPAC NameN-(3,3-diphenylpropyl)-2-(6-oxo-3-phenylpyridazin-1-yl)propanamide
SMILESCC(C(=O)NCCC(c1ccccc1)c1ccccc1)n1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C28H27N3O2/c1-21(31-27(32)18-17-26(30-31)24-15-9-4-10-16-24)28(33)29-20-19-25(22-11-5-2-6-12-22)23-13-7-3-8-14-23/h2-18,21,25H,19-20H2,1H3,(H,29,33)
InChIKeyKOFZRXWQHRJBHA-UHFFFAOYSA-N
XLogP4.81
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(1-phenylethyl)propanamide
CID 121100940
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CID 134060458
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
4-[2-(6-oxo-3-phenylpyridazin-1-yl)propanoylamino]thiophene-3-carboxamide
CID 126852034
(2S)-N-(3-methoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 28623082
N-(3,3-diphenylpropyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052463
N-(3,3-diphenylpropyl)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050455
(2S)-N-(2-methylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide
CID 92735308
N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
CID 121101299
N-[2-(4-chlorophenyl)ethyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide
CID 121101013
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(3,3-diphenylpropyl)propanamide
CID 112791234

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-2-(6-oxo-3-phenylpyridazin-1-yl)propanamide?
The IUPAC name of N-(3,3-diphenylpropyl)-2-(6-oxo-3-phenylpyridazin-1-yl)propanamide (CID 121075800) is N-(3,3-diphenylpropyl)-2-(6-oxo-3-phenylpyridazin-1-yl)propanamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-2-(6-oxo-3-phenylpyridazin-1-yl)propanamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-2-(6-oxo-3-phenylpyridazin-1-yl)propanamide is CC(C(=O)NCCC(c1ccccc1)c1ccccc1)n1nc(-c2ccccc2)ccc1=O.
What is the InChIKey of N-(3,3-diphenylpropyl)-2-(6-oxo-3-phenylpyridazin-1-yl)propanamide?
The InChIKey is KOFZRXWQHRJBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O2/c1-21(31-27(32)18-17-26(30-31)24-15-9-4-10-16-24)28(33)29-20-19-25(22-11-5-2-6-12-22)23-13-7-3-8-14-23/h2-18,21,25H,19-20H2,1H3,(H,29,33).
What are the key properties of N-(3,3-diphenylpropyl)-2-(6-oxo-3-phenylpyridazin-1-yl)propanamide?
N-(3,3-diphenylpropyl)-2-(6-oxo-3-phenylpyridazin-1-yl)propanamide has a molecular weight of 437.54 g/mol, XLogP of 4.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-2-(6-oxo-3-phenylpyridazin-1-yl)propanamide is sourced from PubChem (CID 121075800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).