N-[(4-methylphenyl)methyl]-6-(1-phenylethylamino)pyridazine-3-carboxamide

C21H22N4O — CID 109118581

IUPACN-[(4-methylphenyl)methyl]-6-(1-phenylethylamino)pyridazine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc(NC(C)c3ccccc3)nn2)cc1
InChIInChI=1S/C21H22N4O/c1-15-8-10-17(11-9-15)14-22-21(26)19-12-13-20(25-24-19)23-16(2)18-6-4-3-5-7-18/h3-13,16H,14H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyVFCGREIABBVDBB-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.89
Rot. Bonds6

About N-[(4-methylphenyl)methyl]-6-(1-phenylethylamino)pyridazine-3-carboxamide

N-[(4-methylphenyl)methyl]-6-(1-phenylethylamino)pyridazine-3-carboxamide (PubChem CID 109118581) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-6-(1-phenylethylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-6-(1-phenylethylamino)pyridazine-3-carboxamide
PubChem CID109118581
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-[(4-methylphenyl)methyl]-6-(1-phenylethylamino)pyridazine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc(NC(C)c3ccccc3)nn2)cc1
InChIInChI=1S/C21H22N4O/c1-15-8-10-17(11-9-15)14-22-21(26)19-12-13-20(25-24-19)23-16(2)18-6-4-3-5-7-18/h3-13,16H,14H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyVFCGREIABBVDBB-UHFFFAOYSA-N
XLogP3.89
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylphenyl)methyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide
CID 109109423
2-(4-methylphenyl)-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide
CID 113041210
N-(2-methoxyethyl)-6-(1-phenylethylamino)pyridazine-3-carboxamide
CID 109113913
N-[(4-methylphenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide
CID 109118594
N-[3-(dimethylamino)propyl]-6-(1-phenylethylamino)pyridazine-3-carboxamide
CID 109115961
N-benzyl-N-methyl-6-(1-phenylethylamino)pyridazine-3-carboxamide
CID 109118695
2-phenyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide
CID 113041186
ethyl 2-[[6-(1-phenylethylamino)pyridazine-3-carbonyl]amino]benzoate
CID 109118806
N-benzyl-6-(2-methylanilino)pyridazine-3-carboxamide
CID 109117896
N-ethyl-N-(3-methylphenyl)-6-(1-phenylethylamino)pyridazine-3-carboxamide
CID 109118810
6-(1-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109118785
2-methyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide
CID 113041168

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-6-(1-phenylethylamino)pyridazine-3-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-6-(1-phenylethylamino)pyridazine-3-carboxamide (CID 109118581) is N-[(4-methylphenyl)methyl]-6-(1-phenylethylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-6-(1-phenylethylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-6-(1-phenylethylamino)pyridazine-3-carboxamide is Cc1ccc(CNC(=O)c2ccc(NC(C)c3ccccc3)nn2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-6-(1-phenylethylamino)pyridazine-3-carboxamide?
The InChIKey is VFCGREIABBVDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-15-8-10-17(11-9-15)14-22-21(26)19-12-13-20(25-24-19)23-16(2)18-6-4-3-5-7-18/h3-13,16H,14H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of N-[(4-methylphenyl)methyl]-6-(1-phenylethylamino)pyridazine-3-carboxamide?
N-[(4-methylphenyl)methyl]-6-(1-phenylethylamino)pyridazine-3-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-6-(1-phenylethylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109118581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).