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

C22H24N4O — CID 109118471

IUPACN-benzyl-N-ethyl-6-[(4-methylphenyl)methylamino]pyridazine-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc(NCc2ccc(C)cc2)nn1
InChIInChI=1S/C22H24N4O/c1-3-26(16-19-7-5-4-6-8-19)22(27)20-13-14-21(25-24-20)23-15-18-11-9-17(2)10-12-18/h4-14H,3,15-16H2,1-2H3,(H,23,25)
InChIKeyOVUYLUPYGCYJRD-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.06
Rot. Bonds7

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

N-benzyl-N-ethyl-6-[(4-methylphenyl)methylamino]pyridazine-3-carboxamide (PubChem CID 109118471) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-benzyl-N-ethyl-6-[(4-methylphenyl)methylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-6-[(4-methylphenyl)methylamino]pyridazine-3-carboxamide
PubChem CID109118471
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-benzyl-N-ethyl-6-[(4-methylphenyl)methylamino]pyridazine-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc(NCc2ccc(C)cc2)nn1
InChIInChI=1S/C22H24N4O/c1-3-26(16-19-7-5-4-6-8-19)22(27)20-13-14-21(25-24-20)23-15-18-11-9-17(2)10-12-18/h4-14H,3,15-16H2,1-2H3,(H,23,25)
InChIKeyOVUYLUPYGCYJRD-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-ethyl-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120158
N-benzyl-N-methyl-6-[(4-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118463
N-benzyl-N-ethyl-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109110994
N-benzyl-N-ethyl-6-hydrazinylpyridazine-3-carboxamide
CID 62243834
N,N-diethyl-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118261
6-anilino-N-benzyl-N-ethylpyridazine-3-carboxamide
CID 109120604
6-(benzylamino)-N-ethyl-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109117833
N,N-diethyl-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109120969
1-benzyl-1-ethyl-3-[(4-methylphenyl)methyl]urea
CID 108899084
N-benzyl-6-chloro-N-ethylpyridazine-3-carboxamide
CID 60859356
N-benzyl-N-ethyl-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109120582
6-[(4-chlorophenyl)methylamino]-N-ethyl-N-phenylpyridazine-3-carboxamide
CID 109119843

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-6-[(4-methylphenyl)methylamino]pyridazine-3-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-6-[(4-methylphenyl)methylamino]pyridazine-3-carboxamide (CID 109118471) is N-benzyl-N-ethyl-6-[(4-methylphenyl)methylamino]pyridazine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-6-[(4-methylphenyl)methylamino]pyridazine-3-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-6-[(4-methylphenyl)methylamino]pyridazine-3-carboxamide is CCN(Cc1ccccc1)C(=O)c1ccc(NCc2ccc(C)cc2)nn1.
What is the InChIKey of N-benzyl-N-ethyl-6-[(4-methylphenyl)methylamino]pyridazine-3-carboxamide?
The InChIKey is OVUYLUPYGCYJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-3-26(16-19-7-5-4-6-8-19)22(27)20-13-14-21(25-24-20)23-15-18-11-9-17(2)10-12-18/h4-14H,3,15-16H2,1-2H3,(H,23,25).
What are the key properties of N-benzyl-N-ethyl-6-[(4-methylphenyl)methylamino]pyridazine-3-carboxamide?
N-benzyl-N-ethyl-6-[(4-methylphenyl)methylamino]pyridazine-3-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-6-[(4-methylphenyl)methylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 109118471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).