N,N-dibenzyl-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide

C26H24N4O2 — CID 121100938

IUPACN,N-dibenzyl-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide
SMILESCC(C(=O)N(Cc1ccccc1)Cc1ccccc1)n1nc(-c2cccnc2)ccc1=O
InChIInChI=1S/C26H24N4O2/c1-20(30-25(31)15-14-24(28-30)23-13-8-16-27-17-23)26(32)29(18-21-9-4-2-5-10-21)19-22-11-6-3-7-12-22/h2-17,20H,18-19H2,1H3
InChIKeyJORQDOQNAHVBHU-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.10
Rot. Bonds7

About N,N-dibenzyl-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide

N,N-dibenzyl-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide (PubChem CID 121100938) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is N,N-dibenzyl-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide.

Molecular Properties

Compound NameN,N-dibenzyl-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide
PubChem CID121100938
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC NameN,N-dibenzyl-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide
SMILESCC(C(=O)N(Cc1ccccc1)Cc1ccccc1)n1nc(-c2cccnc2)ccc1=O
InChIInChI=1S/C26H24N4O2/c1-20(30-25(31)15-14-24(28-30)23-13-8-16-27-17-23)26(32)29(18-21-9-4-2-5-10-21)19-22-11-6-3-7-12-22/h2-17,20H,18-19H2,1H3
InChIKeyJORQDOQNAHVBHU-UHFFFAOYSA-N
XLogP4.10
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dibenzyl-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
CID 121101195
N-benzyl-N-methyl-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052466
2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(1-phenylethyl)propanamide
CID 121100940
N-[(4-methylphenyl)methyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide
CID 121100875
N-benzyl-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)propanamide
CID 121076114
N-[2-(4-chlorophenyl)ethyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide
CID 121101013
2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(4-phenoxyphenyl)propanamide
CID 121100942
N-(2-fluorophenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide
CID 121100989
N-benzyl-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-methylpropanamide
CID 121076093
2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 121101067
2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 121100867
2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(2-oxothiolan-3-yl)propanamide
CID 121101028

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide?
The IUPAC name of N,N-dibenzyl-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide (CID 121100938) is N,N-dibenzyl-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide.
What is the SMILES notation for N,N-dibenzyl-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide?
The canonical SMILES for N,N-dibenzyl-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide is CC(C(=O)N(Cc1ccccc1)Cc1ccccc1)n1nc(-c2cccnc2)ccc1=O.
What is the InChIKey of N,N-dibenzyl-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide?
The InChIKey is JORQDOQNAHVBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-20(30-25(31)15-14-24(28-30)23-13-8-16-27-17-23)26(32)29(18-21-9-4-2-5-10-21)19-22-11-6-3-7-12-22/h2-17,20H,18-19H2,1H3.
What are the key properties of N,N-dibenzyl-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide?
N,N-dibenzyl-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide has a molecular weight of 424.50 g/mol, XLogP of 4.10, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide is sourced from PubChem (CID 121100938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).