N-[6-[4-(4-methylpiperidin-1-yl)anilino]pyridazin-3-yl]benzamide

C23H25N5O — CID 113049793

IUPACN-[6-[4-(4-methylpiperidin-1-yl)anilino]pyridazin-3-yl]benzamide
SMILESCC1CCN(c2ccc(Nc3ccc(NC(=O)c4ccccc4)nn3)cc2)CC1
InChIInChI=1S/C23H25N5O/c1-17-13-15-28(16-14-17)20-9-7-19(8-10-20)24-21-11-12-22(27-26-21)25-23(29)18-5-3-2-4-6-18/h2-12,17H,13-16H2,1H3,(H,24,26)(H,25,27,29)
InChIKeyLCZSJIBXCACXNY-UHFFFAOYSA-N
MW387.49 g/mol
LogP4.71
Rot. Bonds5

About N-[6-[4-(4-methylpiperidin-1-yl)anilino]pyridazin-3-yl]benzamide

N-[6-[4-(4-methylpiperidin-1-yl)anilino]pyridazin-3-yl]benzamide (PubChem CID 113049793) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is N-[6-[4-(4-methylpiperidin-1-yl)anilino]pyridazin-3-yl]benzamide.

Molecular Properties

Compound NameN-[6-[4-(4-methylpiperidin-1-yl)anilino]pyridazin-3-yl]benzamide
PubChem CID113049793
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC NameN-[6-[4-(4-methylpiperidin-1-yl)anilino]pyridazin-3-yl]benzamide
SMILESCC1CCN(c2ccc(Nc3ccc(NC(=O)c4ccccc4)nn3)cc2)CC1
InChIInChI=1S/C23H25N5O/c1-17-13-15-28(16-14-17)20-9-7-19(8-10-20)24-21-11-12-22(27-26-21)25-23(29)18-5-3-2-4-6-18/h2-12,17H,13-16H2,1H3,(H,24,26)(H,25,27,29)
InChIKeyLCZSJIBXCACXNY-UHFFFAOYSA-N
XLogP4.71
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[6-(4-pyrrolidin-1-ylanilino)pyridazin-3-yl]benzamide
CID 113049713
6-[4-(4-methylpiperidin-1-yl)anilino]-N-propylpyridazine-3-carboxamide
CID 109109356
N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]benzamide
CID 113049582
N-(4-morpholin-4-ylphenyl)-4-[(6-phenylpyridazin-3-yl)amino]benzamide
CID 50776985
N-(furan-2-ylmethyl)-6-[4-(4-methylpiperidin-1-yl)anilino]pyridazine-3-carboxamide
CID 109117644
N-[4-[(6-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
CID 6457766
N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide
CID 112988758
N-[4-(3-methylpyrrolidin-1-yl)phenyl]-4-(phenylcarbamoylamino)benzamide
CID 56556326
6-(cyclopropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide
CID 109109946
6-[4-(4-methylpiperazin-1-yl)anilino]-N-phenylpyridazine-3-carboxamide
CID 109126707
4-anilino-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2-carboxamide
CID 109218893
N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]thiophene-2-carboxamide
CID 113021087

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(4-methylpiperidin-1-yl)anilino]pyridazin-3-yl]benzamide?
The IUPAC name of N-[6-[4-(4-methylpiperidin-1-yl)anilino]pyridazin-3-yl]benzamide (CID 113049793) is N-[6-[4-(4-methylpiperidin-1-yl)anilino]pyridazin-3-yl]benzamide.
What is the SMILES notation for N-[6-[4-(4-methylpiperidin-1-yl)anilino]pyridazin-3-yl]benzamide?
The canonical SMILES for N-[6-[4-(4-methylpiperidin-1-yl)anilino]pyridazin-3-yl]benzamide is CC1CCN(c2ccc(Nc3ccc(NC(=O)c4ccccc4)nn3)cc2)CC1.
What is the InChIKey of N-[6-[4-(4-methylpiperidin-1-yl)anilino]pyridazin-3-yl]benzamide?
The InChIKey is LCZSJIBXCACXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-17-13-15-28(16-14-17)20-9-7-19(8-10-20)24-21-11-12-22(27-26-21)25-23(29)18-5-3-2-4-6-18/h2-12,17H,13-16H2,1H3,(H,24,26)(H,25,27,29).
What are the key properties of N-[6-[4-(4-methylpiperidin-1-yl)anilino]pyridazin-3-yl]benzamide?
N-[6-[4-(4-methylpiperidin-1-yl)anilino]pyridazin-3-yl]benzamide has a molecular weight of 387.49 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(4-methylpiperidin-1-yl)anilino]pyridazin-3-yl]benzamide is sourced from PubChem (CID 113049793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).