N-benzyl-N-ethyl-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide

C22H24N4O2 — CID 109120158

IUPACN-benzyl-N-ethyl-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc(NCc2ccc(OC)cc2)nn1
InChIInChI=1S/C22H24N4O2/c1-3-26(16-18-7-5-4-6-8-18)22(27)20-13-14-21(25-24-20)23-15-17-9-11-19(28-2)12-10-17/h4-14H,3,15-16H2,1-2H3,(H,23,25)
InChIKeyXQQNEKUCMACTAN-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.76
Rot. Bonds8

About N-benzyl-N-ethyl-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide

N-benzyl-N-ethyl-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide (PubChem CID 109120158) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-benzyl-N-ethyl-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
PubChem CID109120158
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-benzyl-N-ethyl-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc(NCc2ccc(OC)cc2)nn1
InChIInChI=1S/C22H24N4O2/c1-3-26(16-18-7-5-4-6-8-18)22(27)20-13-14-21(25-24-20)23-15-17-9-11-19(28-2)12-10-17/h4-14H,3,15-16H2,1-2H3,(H,23,25)
InChIKeyXQQNEKUCMACTAN-UHFFFAOYSA-N
XLogP3.76
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-ethyl-6-[(4-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118471
N-benzyl-N-ethyl-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109120582
N-benzyl-N-ethyl-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109110994
N-benzyl-N-ethyl-6-hydrazinylpyridazine-3-carboxamide
CID 62243834
6-anilino-N-benzyl-N-ethylpyridazine-3-carboxamide
CID 109120604
N-benzyl-N-methyl-6-[(4-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118463
N,N-diethyl-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118261
N,N-diethyl-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109120969
N-benzyl-6-(5-chloro-2-methoxyanilino)-N-ethylpyridazine-3-carboxamide
CID 109120619
N-[2-(dimethylamino)ethyl]-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109115345
N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041752
6-[(4-methoxyphenyl)methylamino]-N-propan-2-ylpyridazine-3-carboxamide
CID 109109629

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide (CID 109120158) is N-benzyl-N-ethyl-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide is CCN(Cc1ccccc1)C(=O)c1ccc(NCc2ccc(OC)cc2)nn1.
What is the InChIKey of N-benzyl-N-ethyl-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide?
The InChIKey is XQQNEKUCMACTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-3-26(16-18-7-5-4-6-8-18)22(27)20-13-14-21(25-24-20)23-15-17-9-11-19(28-2)12-10-17/h4-14H,3,15-16H2,1-2H3,(H,23,25).
What are the key properties of N-benzyl-N-ethyl-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide?
N-benzyl-N-ethyl-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 109120158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).