N-(2,4-dimethylphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide

C21H22N4O — CID 109118046

IUPACN-(2,4-dimethylphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(NCc3ccccc3C)nn2)c(C)c1
InChIInChI=1S/C21H22N4O/c1-14-8-9-18(16(3)12-14)23-21(26)19-10-11-20(25-24-19)22-13-17-7-5-4-6-15(17)2/h4-12H,13H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyKSGCDUHKIKBVST-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.27
Rot. Bonds5

About N-(2,4-dimethylphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide

N-(2,4-dimethylphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide (PubChem CID 109118046) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
PubChem CID109118046
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-(2,4-dimethylphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(NCc3ccccc3C)nn2)c(C)c1
InChIInChI=1S/C21H22N4O/c1-14-8-9-18(16(3)12-14)23-21(26)19-10-11-20(25-24-19)22-13-17-7-5-4-6-15(17)2/h4-12H,13H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyKSGCDUHKIKBVST-UHFFFAOYSA-N
XLogP4.27
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2-chlorophenyl)methylamino]-N-(2-methylphenyl)pyridazine-3-carboxamide
CID 109119670
N-(2,4-dimethylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109303959
ethyl 2-[[6-[(2-methylphenyl)methylamino]pyridazine-3-carbonyl]amino]benzoate
CID 109118102
N-(3-chloro-4-methylphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118063
6-[(2-methylphenyl)methylamino]pyridazine-3-carboxylic acid
CID 54944511
N-(4-methoxyphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118070
5-[(2-chlorophenyl)methylamino]-N-(2,4-dimethylphenyl)pyridine-2-carboxamide
CID 109189944
N-(2,5-dimethylphenyl)-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280144
N-(2,4-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281464
6-[(2-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide
CID 109119678
6-(2-cyanoanilino)-N-(2,4-dimethylphenyl)pyridazine-3-carboxamide
CID 109127570
N-(2-bromo-4-methylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120767

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide (CID 109118046) is N-(2,4-dimethylphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide is Cc1ccc(NC(=O)c2ccc(NCc3ccccc3C)nn2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide?
The InChIKey is KSGCDUHKIKBVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-14-8-9-18(16(3)12-14)23-21(26)19-10-11-20(25-24-19)22-13-17-7-5-4-6-15(17)2/h4-12H,13H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of N-(2,4-dimethylphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide?
N-(2,4-dimethylphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 109118046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).