N-[3-[benzyl(methyl)amino]propyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

C17H24N4O2 — CID 46516631

IUPACN-[3-[benzyl(methyl)amino]propyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN(CCCNC(=O)C1=NN(C)C(=O)CC1)Cc1ccccc1
InChIInChI=1S/C17H24N4O2/c1-20(13-14-7-4-3-5-8-14)12-6-11-18-17(23)15-9-10-16(22)21(2)19-15/h3-5,7-8H,6,9-13H2,1-2H3,(H,18,23)
InChIKeyDGANFHPKOGLTOZ-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.23
Rot. Bonds7

About N-[3-[benzyl(methyl)amino]propyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

N-[3-[benzyl(methyl)amino]propyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 46516631) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[3-[benzyl(methyl)amino]propyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[benzyl(methyl)amino]propyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID46516631
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC NameN-[3-[benzyl(methyl)amino]propyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN(CCCNC(=O)C1=NN(C)C(=O)CC1)Cc1ccccc1
InChIInChI=1S/C17H24N4O2/c1-20(13-14-7-4-3-5-8-14)12-6-11-18-17(23)15-9-10-16(22)21(2)19-15/h3-5,7-8H,6,9-13H2,1-2H3,(H,18,23)
InChIKeyDGANFHPKOGLTOZ-UHFFFAOYSA-N
XLogP1.23
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-6-oxo-N-(2-phenylethyl)-4,5-dihydropyridazine-3-carboxamide
CID 24540154
N-(3-benzylsulfonylpropyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55841818
1-methyl-6-oxo-N-pentyl-4,5-dihydropyridazine-3-carboxamide
CID 30384665
1-methyl-6-oxo-N-propyl-4,5-dihydropyridazine-3-carboxamide
CID 47014189
1-methyl-6-oxo-N-(2-thiophen-2-ylethyl)-4,5-dihydropyridazine-3-carboxamide
CID 24628335
N-[3-[benzyl(methyl)amino]propyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 30541088
N-[3-[benzyl(methyl)amino]propyl]-2-fluorobenzamide
CID 110444087
N-[3-[3-[benzyl(methyl)amino]propyl-methylamino]propyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 8991000
N-hexyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 18083745
4-N-[3-[benzyl(methyl)amino]propyl]benzene-1,4-dicarboxamide
CID 41306684
N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]benzamide
CID 41306011
N-[(3R)-1-benzylpyrrolidin-3-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 94174293

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 46516631) is N-[3-[benzyl(methyl)amino]propyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-[3-[benzyl(methyl)amino]propyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-[3-[benzyl(methyl)amino]propyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is CN(CCCNC(=O)C1=NN(C)C(=O)CC1)Cc1ccccc1.
What is the InChIKey of N-[3-[benzyl(methyl)amino]propyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is DGANFHPKOGLTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-20(13-14-7-4-3-5-8-14)12-6-11-18-17(23)15-9-10-16(22)21(2)19-15/h3-5,7-8H,6,9-13H2,1-2H3,(H,18,23).
What are the key properties of N-[3-[benzyl(methyl)amino]propyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-[3-[benzyl(methyl)amino]propyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 1.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(methyl)amino]propyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 46516631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).