6-[4-(4-methylpiperazin-1-yl)anilino]-N-phenylpyridazine-3-carboxamide

C22H24N6O — CID 109126707

IUPAC6-[4-(4-methylpiperazin-1-yl)anilino]-N-phenylpyridazine-3-carboxamide
SMILESCN1CCN(c2ccc(Nc3ccc(C(=O)Nc4ccccc4)nn3)cc2)CC1
InChIInChI=1S/C22H24N6O/c1-27-13-15-28(16-14-27)19-9-7-18(8-10-19)23-21-12-11-20(25-26-21)22(29)24-17-5-3-2-4-6-17/h2-12H,13-16H2,1H3,(H,23,26)(H,24,29)
InChIKeyKOZAALDOCNAOJU-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.22
Rot. Bonds5

About 6-[4-(4-methylpiperazin-1-yl)anilino]-N-phenylpyridazine-3-carboxamide

6-[4-(4-methylpiperazin-1-yl)anilino]-N-phenylpyridazine-3-carboxamide (PubChem CID 109126707) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 6-[4-(4-methylpiperazin-1-yl)anilino]-N-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(4-methylpiperazin-1-yl)anilino]-N-phenylpyridazine-3-carboxamide
PubChem CID109126707
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name6-[4-(4-methylpiperazin-1-yl)anilino]-N-phenylpyridazine-3-carboxamide
SMILESCN1CCN(c2ccc(Nc3ccc(C(=O)Nc4ccccc4)nn3)cc2)CC1
InChIInChI=1S/C22H24N6O/c1-27-13-15-28(16-14-27)19-9-7-18(8-10-19)23-21-12-11-20(25-26-21)22(29)24-17-5-3-2-4-6-17/h2-12H,13-16H2,1H3,(H,23,26)(H,24,29)
InChIKeyKOZAALDOCNAOJU-UHFFFAOYSA-N
XLogP3.22
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

6-anilino-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide
CID 109126609
2-anilino-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 155987750
N-(4-acetamidophenyl)-6-anilinopyridazine-3-carboxamide
CID 109126601
6-(butylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridazine-3-carboxamide
CID 109110732
4-anilino-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide
CID 109218895
N-[6-[4-(4-methylpiperazin-1-yl)anilino]pyridazin-3-yl]propanamide
CID 113049844
6-(4-ethylanilino)-N-phenylpyridazine-3-carboxamide
CID 109126657
6-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide
CID 109117802
6-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenylpyridazine-3-carboxamide
CID 133313205
ethyl N-[6-[4-(4-methylpiperazin-1-yl)anilino]pyridazin-3-yl]carbamate
CID 113049859
1-benzyl-N-[4-(4-methylpiperazin-1-yl)phenyl]triazole-4-carboxamide
CID 31868782
6-(4-methylanilino)-N-(4-methylphenyl)pyridazine-3-carboxamide
CID 109127010

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-methylpiperazin-1-yl)anilino]-N-phenylpyridazine-3-carboxamide?
The IUPAC name of 6-[4-(4-methylpiperazin-1-yl)anilino]-N-phenylpyridazine-3-carboxamide (CID 109126707) is 6-[4-(4-methylpiperazin-1-yl)anilino]-N-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[4-(4-methylpiperazin-1-yl)anilino]-N-phenylpyridazine-3-carboxamide?
The canonical SMILES for 6-[4-(4-methylpiperazin-1-yl)anilino]-N-phenylpyridazine-3-carboxamide is CN1CCN(c2ccc(Nc3ccc(C(=O)Nc4ccccc4)nn3)cc2)CC1.
What is the InChIKey of 6-[4-(4-methylpiperazin-1-yl)anilino]-N-phenylpyridazine-3-carboxamide?
The InChIKey is KOZAALDOCNAOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-27-13-15-28(16-14-27)19-9-7-18(8-10-19)23-21-12-11-20(25-26-21)22(29)24-17-5-3-2-4-6-17/h2-12H,13-16H2,1H3,(H,23,26)(H,24,29).
What are the key properties of 6-[4-(4-methylpiperazin-1-yl)anilino]-N-phenylpyridazine-3-carboxamide?
6-[4-(4-methylpiperazin-1-yl)anilino]-N-phenylpyridazine-3-carboxamide has a molecular weight of 388.48 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-methylpiperazin-1-yl)anilino]-N-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 109126707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).