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

C21H29N5O — CID 109125432

IUPAC6-(pentylamino)-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide
SMILESCCCCCNc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)nn1
InChIInChI=1S/C21H29N5O/c1-2-3-5-14-22-20-13-12-19(24-25-20)21(27)23-17-8-10-18(11-9-17)26-15-6-4-7-16-26/h8-13H,2-7,14-16H2,1H3,(H,22,25)(H,23,27)
InChIKeyJATPVPDRPXJQOL-UHFFFAOYSA-N
MW367.50 g/mol
LogP4.32
Rot. Bonds8

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

6-(pentylamino)-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide (PubChem CID 109125432) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is 6-(pentylamino)-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(pentylamino)-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide
PubChem CID109125432
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name6-(pentylamino)-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide
SMILESCCCCCNc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)nn1
InChIInChI=1S/C21H29N5O/c1-2-3-5-14-22-20-13-12-19(24-25-20)21(27)23-17-8-10-18(11-9-17)26-15-6-4-7-16-26/h8-13H,2-7,14-16H2,1H3,(H,22,25)(H,23,27)
InChIKeyJATPVPDRPXJQOL-UHFFFAOYSA-N
XLogP4.32
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-(pentylamino)-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-(butylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridazine-3-carboxamide
CID 109110732
6-(butylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide
CID 109110730
N-[4-(dimethylamino)phenyl]-6-(pentylamino)pyridazine-3-carboxamide
CID 109125429
6-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide
CID 109117802
6-(pentylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109125420
6-anilino-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide
CID 109126609
N-(4-piperidin-1-ylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120760
N-[4-(4-methylpiperazin-1-yl)phenyl]-6-(pentylamino)pyrimidine-4-carboxamide
CID 109354483
N-[4-(4-methylpiperazin-1-yl)phenyl]-5-(pentylamino)pyridine-2-carboxamide
CID 109195891
6-(butylamino)-N-[4-(dimethylamino)phenyl]pyridazine-3-carboxamide
CID 109110726
N-cyclohexyl-6-(pentylamino)pyridazine-3-carboxamide
CID 109113045
6-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide
CID 109125219

Frequently Asked Questions

What is the IUPAC name of 6-(pentylamino)-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(pentylamino)-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide (CID 109125432) is 6-(pentylamino)-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(pentylamino)-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(pentylamino)-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide is CCCCCNc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)nn1.
What is the InChIKey of 6-(pentylamino)-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide?
The InChIKey is JATPVPDRPXJQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-2-3-5-14-22-20-13-12-19(24-25-20)21(27)23-17-8-10-18(11-9-17)26-15-6-4-7-16-26/h8-13H,2-7,14-16H2,1H3,(H,22,25)(H,23,27).
What are the key properties of 6-(pentylamino)-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide?
6-(pentylamino)-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide has a molecular weight of 367.50 g/mol, XLogP of 4.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pentylamino)-N-(4-piperidin-1-ylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109125432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).