N-[6-[benzyl(ethyl)amino]pyridazin-3-yl]-2-chlorobenzamide

C20H19ClN4O — CID 113041914

IUPACN-[6-[benzyl(ethyl)amino]pyridazin-3-yl]-2-chlorobenzamide
SMILESCCN(Cc1ccccc1)c1ccc(NC(=O)c2ccccc2Cl)nn1
InChIInChI=1S/C20H19ClN4O/c1-2-25(14-15-8-4-3-5-9-15)19-13-12-18(23-24-19)22-20(26)16-10-6-7-11-17(16)21/h3-13H,2,14H2,1H3,(H,22,23,26)
InChIKeyVWVKDOHEVFOAFZ-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.41
Rot. Bonds6

About N-[6-[benzyl(ethyl)amino]pyridazin-3-yl]-2-chlorobenzamide

N-[6-[benzyl(ethyl)amino]pyridazin-3-yl]-2-chlorobenzamide (PubChem CID 113041914) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is N-[6-[benzyl(ethyl)amino]pyridazin-3-yl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[6-[benzyl(ethyl)amino]pyridazin-3-yl]-2-chlorobenzamide
PubChem CID113041914
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC NameN-[6-[benzyl(ethyl)amino]pyridazin-3-yl]-2-chlorobenzamide
SMILESCCN(Cc1ccccc1)c1ccc(NC(=O)c2ccccc2Cl)nn1
InChIInChI=1S/C20H19ClN4O/c1-2-25(14-15-8-4-3-5-9-15)19-13-12-18(23-24-19)22-20(26)16-10-6-7-11-17(16)21/h3-13H,2,14H2,1H3,(H,22,23,26)
InChIKeyVWVKDOHEVFOAFZ-UHFFFAOYSA-N
XLogP4.41
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[benzyl(ethyl)amino]-N-(3-chlorophenyl)pyridazine-3-carboxamide
CID 109120537
2-(4-chlorophenyl)-N-[6-(diethylamino)pyridazin-3-yl]acetamide
CID 113043990
N-[6-[benzyl(ethyl)amino]pyridazin-3-yl]propane-1-sulfonamide
CID 113041939
6-[benzyl(ethyl)amino]-N-pentylpyridazine-3-carboxamide
CID 109120520
2-[benzyl(ethyl)amino]-N-(4-chlorophenyl)pyridine-4-carboxamide
CID 109171588
6-[ethyl-[(4-methoxyphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide
CID 133384179
N-[6-[benzyl(methyl)amino]pyridazin-3-yl]-4-methylbenzamide
CID 113041264
N-[6-[benzyl(ethyl)amino]pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113041950
2-chloro-N-[6-(dipropylamino)pyridazin-3-yl]-6-fluorobenzamide
CID 113045170
6-[benzyl(ethyl)amino]-N-(3-methoxypropyl)pyridazine-3-carboxamide
CID 109114288
N-benzyl-N-ethyl-6-(methylaminomethyl)pyridazin-3-amine
CID 62280198
3-[(2-chlorobenzoyl)amino]-4-(diethylamino)benzoic acid
CID 53052827

Frequently Asked Questions

What is the IUPAC name of N-[6-[benzyl(ethyl)amino]pyridazin-3-yl]-2-chlorobenzamide?
The IUPAC name of N-[6-[benzyl(ethyl)amino]pyridazin-3-yl]-2-chlorobenzamide (CID 113041914) is N-[6-[benzyl(ethyl)amino]pyridazin-3-yl]-2-chlorobenzamide.
What is the SMILES notation for N-[6-[benzyl(ethyl)amino]pyridazin-3-yl]-2-chlorobenzamide?
The canonical SMILES for N-[6-[benzyl(ethyl)amino]pyridazin-3-yl]-2-chlorobenzamide is CCN(Cc1ccccc1)c1ccc(NC(=O)c2ccccc2Cl)nn1.
What is the InChIKey of N-[6-[benzyl(ethyl)amino]pyridazin-3-yl]-2-chlorobenzamide?
The InChIKey is VWVKDOHEVFOAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-2-25(14-15-8-4-3-5-9-15)19-13-12-18(23-24-19)22-20(26)16-10-6-7-11-17(16)21/h3-13H,2,14H2,1H3,(H,22,23,26).
What are the key properties of N-[6-[benzyl(ethyl)amino]pyridazin-3-yl]-2-chlorobenzamide?
N-[6-[benzyl(ethyl)amino]pyridazin-3-yl]-2-chlorobenzamide has a molecular weight of 366.85 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[benzyl(ethyl)amino]pyridazin-3-yl]-2-chlorobenzamide is sourced from PubChem (CID 113041914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).