N-benzyl-6-[benzyl(propan-2-yl)amino]pyridazine-3-carboxamide

C22H24N4O — CID 109117885

IUPACN-benzyl-6-[benzyl(propan-2-yl)amino]pyridazine-3-carboxamide
SMILESCC(C)N(Cc1ccccc1)c1ccc(C(=O)NCc2ccccc2)nn1
InChIInChI=1S/C22H24N4O/c1-17(2)26(16-19-11-7-4-8-12-19)21-14-13-20(24-25-21)22(27)23-15-18-9-5-3-6-10-18/h3-14,17H,15-16H2,1-2H3,(H,23,27)
InChIKeyDXFYIGNCHAKJJI-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.82
Rot. Bonds7

About N-benzyl-6-[benzyl(propan-2-yl)amino]pyridazine-3-carboxamide

N-benzyl-6-[benzyl(propan-2-yl)amino]pyridazine-3-carboxamide (PubChem CID 109117885) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-benzyl-6-[benzyl(propan-2-yl)amino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-[benzyl(propan-2-yl)amino]pyridazine-3-carboxamide
PubChem CID109117885
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-benzyl-6-[benzyl(propan-2-yl)amino]pyridazine-3-carboxamide
SMILESCC(C)N(Cc1ccccc1)c1ccc(C(=O)NCc2ccccc2)nn1
InChIInChI=1S/C22H24N4O/c1-17(2)26(16-19-11-7-4-8-12-19)21-14-13-20(24-25-21)22(27)23-15-18-9-5-3-6-10-18/h3-14,17H,15-16H2,1-2H3,(H,23,27)
InChIKeyDXFYIGNCHAKJJI-UHFFFAOYSA-N
XLogP3.82
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[benzyl(propan-2-yl)amino]-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide
CID 109115031
6-[benzyl(propan-2-yl)amino]-N-[(4-chlorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348774
5-[benzyl(propan-2-yl)amino]-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282403
N-benzyl-6-[butyl(methyl)amino]pyridazine-3-carboxamide
CID 109117888
2-[benzyl(propan-2-yl)amino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304614
N-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113044456
N-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]butanamide
CID 113044450
6-[benzyl(methyl)amino]-N-[(2-chlorophenyl)methyl]pyridazine-3-carboxamide
CID 109118931
N-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-4-fluorobenzamide
CID 113044463
2-[benzyl(propan-2-yl)amino]-6-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109330248
[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109125080
6-[benzyl(methyl)amino]-N-(3-phenylpropyl)pyridazine-3-carboxamide
CID 109118961

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-[benzyl(propan-2-yl)amino]pyridazine-3-carboxamide?
The IUPAC name of N-benzyl-6-[benzyl(propan-2-yl)amino]pyridazine-3-carboxamide (CID 109117885) is N-benzyl-6-[benzyl(propan-2-yl)amino]pyridazine-3-carboxamide.
What is the SMILES notation for N-benzyl-6-[benzyl(propan-2-yl)amino]pyridazine-3-carboxamide?
The canonical SMILES for N-benzyl-6-[benzyl(propan-2-yl)amino]pyridazine-3-carboxamide is CC(C)N(Cc1ccccc1)c1ccc(C(=O)NCc2ccccc2)nn1.
What is the InChIKey of N-benzyl-6-[benzyl(propan-2-yl)amino]pyridazine-3-carboxamide?
The InChIKey is DXFYIGNCHAKJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-17(2)26(16-19-11-7-4-8-12-19)21-14-13-20(24-25-21)22(27)23-15-18-9-5-3-6-10-18/h3-14,17H,15-16H2,1-2H3,(H,23,27).
What are the key properties of N-benzyl-6-[benzyl(propan-2-yl)amino]pyridazine-3-carboxamide?
N-benzyl-6-[benzyl(propan-2-yl)amino]pyridazine-3-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-[benzyl(propan-2-yl)amino]pyridazine-3-carboxamide is sourced from PubChem (CID 109117885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).