6-anilino-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide

C22H23N5O — CID 109126609

IUPAC6-anilino-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(Nc2ccccc2)nn1
InChIInChI=1S/C22H23N5O/c28-22(20-13-14-21(26-25-20)23-17-7-3-1-4-8-17)24-18-9-11-19(12-10-18)27-15-5-2-6-16-27/h1,3-4,7-14H,2,5-6,15-16H2,(H,23,26)(H,24,28)
InChIKeyNAYSFLJQAPKNGD-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.46
Rot. Bonds5

About 6-anilino-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide

6-anilino-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide (PubChem CID 109126609) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 6-anilino-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-anilino-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide
PubChem CID109126609
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name6-anilino-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(Nc2ccccc2)nn1
InChIInChI=1S/C22H23N5O/c28-22(20-13-14-21(26-25-20)23-17-7-3-1-4-8-17)24-18-9-11-19(12-10-18)27-15-5-2-6-16-27/h1,3-4,7-14H,2,5-6,15-16H2,(H,23,26)(H,24,28)
InChIKeyNAYSFLJQAPKNGD-UHFFFAOYSA-N
XLogP4.46
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-anilino-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[4-(4-methylpiperazin-1-yl)anilino]-N-phenylpyridazine-3-carboxamide
CID 109126707
6-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide
CID 109117802
6-anilino-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109355759
N-phenyl-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109355856
N-(4-acetamidophenyl)-6-anilinopyridazine-3-carboxamide
CID 109126601
N-(4-piperidin-1-ylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120760
6-(pentylamino)-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide
CID 109125432
N-(furan-2-ylmethyl)-6-(4-piperidin-1-ylanilino)pyridazine-3-carboxamide
CID 109117643
N-ethyl-N-phenyl-6-(4-pyrrolidin-1-ylanilino)pyridazine-3-carboxamide
CID 109128101
6-cyclopropyl-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide
CID 113200278
N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide
CID 112988758
6-(4-ethylanilino)-N-phenylpyridazine-3-carboxamide
CID 109126657

Frequently Asked Questions

What is the IUPAC name of 6-anilino-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-anilino-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide (CID 109126609) is 6-anilino-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-anilino-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-anilino-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide is O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(Nc2ccccc2)nn1.
What is the InChIKey of 6-anilino-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide?
The InChIKey is NAYSFLJQAPKNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c28-22(20-13-14-21(26-25-20)23-17-7-3-1-4-8-17)24-18-9-11-19(12-10-18)27-15-5-2-6-16-27/h1,3-4,7-14H,2,5-6,15-16H2,(H,23,26)(H,24,28).
What are the key properties of 6-anilino-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide?
6-anilino-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilino-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109126609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).