6-oxo-N-[4-(4-phenylpiperazin-1-yl)butyl]-1-propylpyridazine-3-carboxamide

C22H31N5O2 — CID 55859833

IUPAC6-oxo-N-[4-(4-phenylpiperazin-1-yl)butyl]-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NCCCCN2CCN(c3ccccc3)CC2)ccc1=O
InChIInChI=1S/C22H31N5O2/c1-2-13-27-21(28)11-10-20(24-27)22(29)23-12-6-7-14-25-15-17-26(18-16-25)19-8-4-3-5-9-19/h3-5,8-11H,2,6-7,12-18H2,1H3,(H,23,29)
InChIKeyNKMKDBLDEZUGMQ-UHFFFAOYSA-N
MW397.52 g/mol
LogP1.99
Rot. Bonds9

About 6-oxo-N-[4-(4-phenylpiperazin-1-yl)butyl]-1-propylpyridazine-3-carboxamide

6-oxo-N-[4-(4-phenylpiperazin-1-yl)butyl]-1-propylpyridazine-3-carboxamide (PubChem CID 55859833) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is 6-oxo-N-[4-(4-phenylpiperazin-1-yl)butyl]-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[4-(4-phenylpiperazin-1-yl)butyl]-1-propylpyridazine-3-carboxamide
PubChem CID55859833
Molecular FormulaC22H31N5O2
Molecular Weight397.52 g/mol
Exact Mass397.25
IUPAC Name6-oxo-N-[4-(4-phenylpiperazin-1-yl)butyl]-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NCCCCN2CCN(c3ccccc3)CC2)ccc1=O
InChIInChI=1S/C22H31N5O2/c1-2-13-27-21(28)11-10-20(24-27)22(29)23-12-6-7-14-25-15-17-26(18-16-25)19-8-4-3-5-9-19/h3-5,8-11H,2,6-7,12-18H2,1H3,(H,23,29)
InChIKeyNKMKDBLDEZUGMQ-UHFFFAOYSA-N
XLogP1.99
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-oxo-N-[4-(4-phenylpiperazin-1-yl)butyl]-1-propylpyridazine-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

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 55657899
6-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]hexanoic acid
CID 43170045
6-oxo-N-[(1-phenylpyrrolidin-3-yl)methyl]-1-propylpyridazine-3-carboxamide
CID 43065015
2-methyl-5-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid
CID 104681761
2-hydroxy-4-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid
CID 107831909
1-(2-methoxyethyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-6-oxopyridazine-3-carboxamide
CID 46410374
1-butyl-N-(6-hydroxyhexyl)-6-oxopyridazine-3-carboxamide
CID 103919605
N-nonyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 46549927
1-butyl-N-(3,3-diphenylpropyl)-6-oxopyridazine-3-carboxamide
CID 42162037
N-pentyl-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109123098
4-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-hydroxybutanoic acid
CID 107832412
3,5-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide
CID 55860989

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[4-(4-phenylpiperazin-1-yl)butyl]-1-propylpyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[4-(4-phenylpiperazin-1-yl)butyl]-1-propylpyridazine-3-carboxamide (CID 55859833) is 6-oxo-N-[4-(4-phenylpiperazin-1-yl)butyl]-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[4-(4-phenylpiperazin-1-yl)butyl]-1-propylpyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[4-(4-phenylpiperazin-1-yl)butyl]-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)NCCCCN2CCN(c3ccccc3)CC2)ccc1=O.
What is the InChIKey of 6-oxo-N-[4-(4-phenylpiperazin-1-yl)butyl]-1-propylpyridazine-3-carboxamide?
The InChIKey is NKMKDBLDEZUGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2/c1-2-13-27-21(28)11-10-20(24-27)22(29)23-12-6-7-14-25-15-17-26(18-16-25)19-8-4-3-5-9-19/h3-5,8-11H,2,6-7,12-18H2,1H3,(H,23,29).
What are the key properties of 6-oxo-N-[4-(4-phenylpiperazin-1-yl)butyl]-1-propylpyridazine-3-carboxamide?
6-oxo-N-[4-(4-phenylpiperazin-1-yl)butyl]-1-propylpyridazine-3-carboxamide has a molecular weight of 397.52 g/mol, XLogP of 1.99, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[4-(4-phenylpiperazin-1-yl)butyl]-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 55859833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).