N-ethyl-N-(3-methylphenyl)-6-(1-phenylethylamino)pyridazine-3-carboxamide

C22H24N4O — CID 109118810

IUPACN-ethyl-N-(3-methylphenyl)-6-(1-phenylethylamino)pyridazine-3-carboxamide
SMILESCCN(C(=O)c1ccc(NC(C)c2ccccc2)nn1)c1cccc(C)c1
InChIInChI=1S/C22H24N4O/c1-4-26(19-12-8-9-16(2)15-19)22(27)20-13-14-21(25-24-20)23-17(3)18-10-6-5-7-11-18/h5-15,17H,4H2,1-3H3,(H,23,25)
InChIKeyNHEKGWDRUBRIHK-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.62
Rot. Bonds6

About N-ethyl-N-(3-methylphenyl)-6-(1-phenylethylamino)pyridazine-3-carboxamide

N-ethyl-N-(3-methylphenyl)-6-(1-phenylethylamino)pyridazine-3-carboxamide (PubChem CID 109118810) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-ethyl-N-(3-methylphenyl)-6-(1-phenylethylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(3-methylphenyl)-6-(1-phenylethylamino)pyridazine-3-carboxamide
PubChem CID109118810
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-ethyl-N-(3-methylphenyl)-6-(1-phenylethylamino)pyridazine-3-carboxamide
SMILESCCN(C(=O)c1ccc(NC(C)c2ccccc2)nn1)c1cccc(C)c1
InChIInChI=1S/C22H24N4O/c1-4-26(19-12-8-9-16(2)15-19)22(27)20-13-14-21(25-24-20)23-17(3)18-10-6-5-7-11-18/h5-15,17H,4H2,1-3H3,(H,23,25)
InChIKeyNHEKGWDRUBRIHK-UHFFFAOYSA-N
XLogP4.62
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-(3-methylphenyl)-5-(1-phenylethylamino)pyridine-2-carboxamide
CID 109189083
6-(benzylamino)-N-ethyl-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109117833
6-amino-N-ethyl-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 55041795
N-ethyl-6-[2-(2-methoxyphenyl)ethylamino]-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109122262
N-ethyl-N-phenyl-5-(1-phenylethylamino)pyridine-2-carboxamide
CID 109189023
N-benzyl-N-methyl-6-(1-phenylethylamino)pyridazine-3-carboxamide
CID 109118695
N-ethyl-N-(3-methylphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide
CID 109271545
6-(2,4-dimethoxyanilino)-N-ethyl-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109129690
N-ethyl-N-(3-methylphenyl)-3-phenylbutanamide
CID 21488716
N-[(4-methylphenyl)methyl]-6-(1-phenylethylamino)pyridazine-3-carboxamide
CID 109118581
N-ethyl-6-(3-fluoroanilino)-N-phenylpyridazine-3-carboxamide
CID 109128102
N-[3-(dimethylamino)propyl]-6-(1-phenylethylamino)pyridazine-3-carboxamide
CID 109115961

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylphenyl)-6-(1-phenylethylamino)pyridazine-3-carboxamide?
The IUPAC name of N-ethyl-N-(3-methylphenyl)-6-(1-phenylethylamino)pyridazine-3-carboxamide (CID 109118810) is N-ethyl-N-(3-methylphenyl)-6-(1-phenylethylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(3-methylphenyl)-6-(1-phenylethylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-ethyl-N-(3-methylphenyl)-6-(1-phenylethylamino)pyridazine-3-carboxamide is CCN(C(=O)c1ccc(NC(C)c2ccccc2)nn1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-N-(3-methylphenyl)-6-(1-phenylethylamino)pyridazine-3-carboxamide?
The InChIKey is NHEKGWDRUBRIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-4-26(19-12-8-9-16(2)15-19)22(27)20-13-14-21(25-24-20)23-17(3)18-10-6-5-7-11-18/h5-15,17H,4H2,1-3H3,(H,23,25).
What are the key properties of N-ethyl-N-(3-methylphenyl)-6-(1-phenylethylamino)pyridazine-3-carboxamide?
N-ethyl-N-(3-methylphenyl)-6-(1-phenylethylamino)pyridazine-3-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylphenyl)-6-(1-phenylethylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109118810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).