N-pentyl-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide

C20H27N5O — CID 109123098

IUPACN-pentyl-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide
SMILESCCCCCNC(=O)c1ccc(N2CCN(c3ccccc3)CC2)nn1
InChIInChI=1S/C20H27N5O/c1-2-3-7-12-21-20(26)18-10-11-19(23-22-18)25-15-13-24(14-16-25)17-8-5-4-6-9-17/h4-6,8-11H,2-3,7,12-16H2,1H3,(H,21,26)
InChIKeyAMTFVHOGEUXNOB-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.72
Rot. Bonds7

About N-pentyl-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide

N-pentyl-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide (PubChem CID 109123098) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is N-pentyl-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-pentyl-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide
PubChem CID109123098
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC NameN-pentyl-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide
SMILESCCCCCNC(=O)c1ccc(N2CCN(c3ccccc3)CC2)nn1
InChIInChI=1S/C20H27N5O/c1-2-3-7-12-21-20(26)18-10-11-19(23-22-18)25-15-13-24(14-16-25)17-8-5-4-6-9-17/h4-6,8-11H,2-3,7,12-16H2,1H3,(H,21,26)
InChIKeyAMTFVHOGEUXNOB-UHFFFAOYSA-N
XLogP2.72
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-pentyl-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112519
N-pentyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 11698083
N-heptyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 67012400
N-propyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109109270
6-(4-acetylpiperazin-1-yl)-N-(3-phenylpropyl)pyridazine-3-carboxamide
CID 109117114
N-butyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109361785
6-(4-phenylpiperazin-1-yl)-N,N-dipropylpyridazine-3-carboxamide
CID 109123102
N-[2-(cyclohexen-1-yl)ethyl]-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109113643
4-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]butanoic acid
CID 119352616
6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide
CID 109109268
5-(4-phenylpiperazin-1-yl)-N-propylpyridine-2-carboxamide
CID 109179090
6-morpholin-4-yl-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109114472

Frequently Asked Questions

What is the IUPAC name of N-pentyl-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide?
The IUPAC name of N-pentyl-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide (CID 109123098) is N-pentyl-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide.
What is the SMILES notation for N-pentyl-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide?
The canonical SMILES for N-pentyl-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide is CCCCCNC(=O)c1ccc(N2CCN(c3ccccc3)CC2)nn1.
What is the InChIKey of N-pentyl-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide?
The InChIKey is AMTFVHOGEUXNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-2-3-7-12-21-20(26)18-10-11-19(23-22-18)25-15-13-24(14-16-25)17-8-5-4-6-9-17/h4-6,8-11H,2-3,7,12-16H2,1H3,(H,21,26).
What are the key properties of N-pentyl-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide?
N-pentyl-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 109123098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).