6-[benzyl(ethyl)amino]-N-pentylpyridazine-3-carboxamide

C19H26N4O — CID 109120520

IUPAC6-[benzyl(ethyl)amino]-N-pentylpyridazine-3-carboxamide
SMILESCCCCCNC(=O)c1ccc(N(CC)Cc2ccccc2)nn1
InChIInChI=1S/C19H26N4O/c1-3-5-9-14-20-19(24)17-12-13-18(22-21-17)23(4-2)15-16-10-7-6-8-11-16/h6-8,10-13H,3-5,9,14-15H2,1-2H3,(H,20,24)
InChIKeyLRGDFBAUPSFGGX-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.42
Rot. Bonds9

About 6-[benzyl(ethyl)amino]-N-pentylpyridazine-3-carboxamide

6-[benzyl(ethyl)amino]-N-pentylpyridazine-3-carboxamide (PubChem CID 109120520) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 6-[benzyl(ethyl)amino]-N-pentylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[benzyl(ethyl)amino]-N-pentylpyridazine-3-carboxamide
PubChem CID109120520
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name6-[benzyl(ethyl)amino]-N-pentylpyridazine-3-carboxamide
SMILESCCCCCNC(=O)c1ccc(N(CC)Cc2ccccc2)nn1
InChIInChI=1S/C19H26N4O/c1-3-5-9-14-20-19(24)17-12-13-18(22-21-17)23(4-2)15-16-10-7-6-8-11-16/h6-8,10-13H,3-5,9,14-15H2,1-2H3,(H,20,24)
InChIKeyLRGDFBAUPSFGGX-UHFFFAOYSA-N
XLogP3.42
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.42
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

6-[benzyl(ethyl)amino]-N-(3-methoxypropyl)pyridazine-3-carboxamide
CID 109114288
6-[benzyl(ethyl)amino]-N-butyl-2-methylpyrimidine-4-carboxamide
CID 109361770
6-[benzyl(ethyl)amino]-N-(3-chlorophenyl)pyridazine-3-carboxamide
CID 109120537
6-[benzyl(methyl)amino]-N-(3-phenylpropyl)pyridazine-3-carboxamide
CID 109118961
6-[benzyl(ethyl)amino]-2-methyl-N-propylpyrimidine-4-carboxamide
CID 109360211
6-[ethyl-[(4-methoxyphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide
CID 133384179
6-(dipropylamino)-N-propylpyridazine-3-carboxamide
CID 109109285
N-benzyl-6-[butyl(methyl)amino]pyridazine-3-carboxamide
CID 109117888
6-(dibenzylamino)pyridazine-3-carboxylic acid
CID 127018558
[6-[benzyl(ethyl)amino]pyridazin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109120502
N-[6-[benzyl(ethyl)amino]pyridazin-3-yl]-2-chlorobenzamide
CID 113041914
2-(diethylamino)-N-pentylpyridine-4-carboxamide
CID 109174759

Frequently Asked Questions

What is the IUPAC name of 6-[benzyl(ethyl)amino]-N-pentylpyridazine-3-carboxamide?
The IUPAC name of 6-[benzyl(ethyl)amino]-N-pentylpyridazine-3-carboxamide (CID 109120520) is 6-[benzyl(ethyl)amino]-N-pentylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[benzyl(ethyl)amino]-N-pentylpyridazine-3-carboxamide?
The canonical SMILES for 6-[benzyl(ethyl)amino]-N-pentylpyridazine-3-carboxamide is CCCCCNC(=O)c1ccc(N(CC)Cc2ccccc2)nn1.
What is the InChIKey of 6-[benzyl(ethyl)amino]-N-pentylpyridazine-3-carboxamide?
The InChIKey is LRGDFBAUPSFGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-3-5-9-14-20-19(24)17-12-13-18(22-21-17)23(4-2)15-16-10-7-6-8-11-16/h6-8,10-13H,3-5,9,14-15H2,1-2H3,(H,20,24).
What are the key properties of 6-[benzyl(ethyl)amino]-N-pentylpyridazine-3-carboxamide?
6-[benzyl(ethyl)amino]-N-pentylpyridazine-3-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.42, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[benzyl(ethyl)amino]-N-pentylpyridazine-3-carboxamide is sourced from PubChem (CID 109120520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).