N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-2-(3-methylphenyl)acetamide

C24H24N6O — CID 122292474

IUPACN-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)Nc2ccc(Nc3ccc(-n4nc(C)cc4C)nn3)cc2)c1
InChIInChI=1S/C24H24N6O/c1-16-5-4-6-19(13-16)15-24(31)26-21-9-7-20(8-10-21)25-22-11-12-23(28-27-22)30-18(3)14-17(2)29-30/h4-14H,15H2,1-3H3,(H,25,27)(H,26,31)
InChIKeyIXZBODBRMJHJDL-UHFFFAOYSA-N
MW412.50 g/mol
LogP4.51
Rot. Bonds6

About N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-2-(3-methylphenyl)acetamide

N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-2-(3-methylphenyl)acetamide (PubChem CID 122292474) has the molecular formula C24H24N6O and a molecular weight of 412.50 g/mol. Its IUPAC name is N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-2-(3-methylphenyl)acetamide
PubChem CID122292474
Molecular FormulaC24H24N6O
Molecular Weight412.50 g/mol
Exact Mass412.20
IUPAC NameN-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)Nc2ccc(Nc3ccc(-n4nc(C)cc4C)nn3)cc2)c1
InChIInChI=1S/C24H24N6O/c1-16-5-4-6-19(13-16)15-24(31)26-21-9-7-20(8-10-21)25-22-11-12-23(28-27-22)30-18(3)14-17(2)29-30/h4-14H,15H2,1-3H3,(H,25,27)(H,26,31)
InChIKeyIXZBODBRMJHJDL-UHFFFAOYSA-N
XLogP4.51
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]acetamide
CID 122292594
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-2-pyrazol-1-ylacetamide
CID 122292562
N-[6-(4-chloroanilino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide
CID 113047565
3-(dimethylamino)-N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzamide
CID 122292500
methyl 4-[[6-[[2-(3-methylphenyl)acetyl]amino]pyridazin-3-yl]amino]benzoate
CID 113049498
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-3-(tetrazol-1-yl)benzamide
CID 122292555
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 122292449
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-2-methoxypyridine-3-carboxamide
CID 122292561
N-[6-(3-fluoroanilino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide
CID 113049983
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 122292441
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-(4-methoxyphenyl)acetamide
CID 122305406
N-[6-(4-ethylanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113017495

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-2-(3-methylphenyl)acetamide (CID 122292474) is N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)Nc2ccc(Nc3ccc(-n4nc(C)cc4C)nn3)cc2)c1.
What is the InChIKey of N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-2-(3-methylphenyl)acetamide?
The InChIKey is IXZBODBRMJHJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O/c1-16-5-4-6-19(13-16)15-24(31)26-21-9-7-20(8-10-21)25-22-11-12-23(28-27-22)30-18(3)14-17(2)29-30/h4-14H,15H2,1-3H3,(H,25,27)(H,26,31).
What are the key properties of N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-2-(3-methylphenyl)acetamide?
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-2-(3-methylphenyl)acetamide has a molecular weight of 412.50 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 122292474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).