N-benzyl-6-[butyl(methyl)amino]pyridazine-3-carboxamide

C17H22N4O — CID 109117888

IUPACN-benzyl-6-[butyl(methyl)amino]pyridazine-3-carboxamide
SMILESCCCCN(C)c1ccc(C(=O)NCc2ccccc2)nn1
InChIInChI=1S/C17H22N4O/c1-3-4-12-21(2)16-11-10-15(19-20-16)17(22)18-13-14-8-6-5-7-9-14/h5-11H,3-4,12-13H2,1-2H3,(H,18,22)
InChIKeyJQWMZAMPYMAOMU-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.64
Rot. Bonds7

About N-benzyl-6-[butyl(methyl)amino]pyridazine-3-carboxamide

N-benzyl-6-[butyl(methyl)amino]pyridazine-3-carboxamide (PubChem CID 109117888) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-benzyl-6-[butyl(methyl)amino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-[butyl(methyl)amino]pyridazine-3-carboxamide
PubChem CID109117888
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-benzyl-6-[butyl(methyl)amino]pyridazine-3-carboxamide
SMILESCCCCN(C)c1ccc(C(=O)NCc2ccccc2)nn1
InChIInChI=1S/C17H22N4O/c1-3-4-12-21(2)16-11-10-15(19-20-16)17(22)18-13-14-8-6-5-7-9-14/h5-11H,3-4,12-13H2,1-2H3,(H,18,22)
InChIKeyJQWMZAMPYMAOMU-UHFFFAOYSA-N
XLogP2.64
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[butyl(methyl)amino]-N-[2-(3-chlorophenyl)ethyl]pyridazine-3-carboxamide
CID 109125564
N-benzyl-6-[benzyl(propan-2-yl)amino]pyridazine-3-carboxamide
CID 109117885
6-[benzyl(methyl)amino]-N-(3-phenylpropyl)pyridazine-3-carboxamide
CID 109118961
6-[benzyl(methyl)amino]-N-[(2-chlorophenyl)methyl]pyridazine-3-carboxamide
CID 109118931
N-benzyl-5-[butyl(methyl)amino]pyridine-3-carboxamide
CID 109231681
6-[butyl(methyl)amino]-N-(3-chloro-2-methylphenyl)pyridazine-3-carboxamide
CID 109125594
6-(dipropylamino)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 109119564
6-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109125585
6-[benzyl(ethyl)amino]-N-pentylpyridazine-3-carboxamide
CID 109120520
6-[butyl(methyl)amino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347424
N-[(2-methylphenyl)methyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide
CID 109118133
6-[butyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109125615

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-[butyl(methyl)amino]pyridazine-3-carboxamide?
The IUPAC name of N-benzyl-6-[butyl(methyl)amino]pyridazine-3-carboxamide (CID 109117888) is N-benzyl-6-[butyl(methyl)amino]pyridazine-3-carboxamide.
What is the SMILES notation for N-benzyl-6-[butyl(methyl)amino]pyridazine-3-carboxamide?
The canonical SMILES for N-benzyl-6-[butyl(methyl)amino]pyridazine-3-carboxamide is CCCCN(C)c1ccc(C(=O)NCc2ccccc2)nn1.
What is the InChIKey of N-benzyl-6-[butyl(methyl)amino]pyridazine-3-carboxamide?
The InChIKey is JQWMZAMPYMAOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-3-4-12-21(2)16-11-10-15(19-20-16)17(22)18-13-14-8-6-5-7-9-14/h5-11H,3-4,12-13H2,1-2H3,(H,18,22).
What are the key properties of N-benzyl-6-[butyl(methyl)amino]pyridazine-3-carboxamide?
N-benzyl-6-[butyl(methyl)amino]pyridazine-3-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-[butyl(methyl)amino]pyridazine-3-carboxamide is sourced from PubChem (CID 109117888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).