4-[6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carbonyl]piperazine-1-carbaldehyde

C19H23N5O3 — CID 109116947

IUPAC4-[6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carbonyl]piperazine-1-carbaldehyde
SMILESCOc1ccccc1CCNc1ccc(C(=O)N2CCN(C=O)CC2)nn1
InChIInChI=1S/C19H23N5O3/c1-27-17-5-3-2-4-15(17)8-9-20-18-7-6-16(21-22-18)19(26)24-12-10-23(14-25)11-13-24/h2-7,14H,8-13H2,1H3,(H,20,22)
InChIKeyNGEZSMWYIKMWDV-UHFFFAOYSA-N
MW369.43 g/mol
LogP1.05
Rot. Bonds7

About 4-[6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carbonyl]piperazine-1-carbaldehyde

4-[6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carbonyl]piperazine-1-carbaldehyde (PubChem CID 109116947) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 4-[6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carbonyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carbonyl]piperazine-1-carbaldehyde
PubChem CID109116947
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name4-[6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carbonyl]piperazine-1-carbaldehyde
SMILESCOc1ccccc1CCNc1ccc(C(=O)N2CCN(C=O)CC2)nn1
InChIInChI=1S/C19H23N5O3/c1-27-17-5-3-2-4-15(17)8-9-20-18-7-6-16(21-22-18)19(26)24-12-10-23(14-25)11-13-24/h2-7,14H,8-13H2,1H3,(H,20,22)
InChIKeyNGEZSMWYIKMWDV-UHFFFAOYSA-N
XLogP1.05
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carbonyl]piperazine-1-carbaldehyde 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

2,3-dihydroindol-1-yl-[6-[2-(2-methoxyphenyl)ethylamino]pyridazin-3-yl]methanone
CID 109122223
4-(4-formylpiperazine-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 109046351
4-[6-(tert-butylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109116972
[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 109115194
4-[6-(5-chloro-2-methoxyanilino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109117020
(4-ethylpiperazin-1-yl)-[5-[2-(2-methoxyphenyl)ethylamino]pyrazin-2-yl]methanone
CID 109278444
4-[6-(pyridin-2-ylmethylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109116940
4-[6-(propan-2-ylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109109417
6-[2-(2-methoxyphenyl)ethylamino]-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 133382556
N-[2-(2-methoxyphenyl)ethyl]-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110227
N-benzyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyridazine-3-carboxamide
CID 109119063
N-(4-acetylphenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122252

Frequently Asked Questions

What is the IUPAC name of 4-[6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carbonyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carbonyl]piperazine-1-carbaldehyde (CID 109116947) is 4-[6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carbonyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carbonyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carbonyl]piperazine-1-carbaldehyde is COc1ccccc1CCNc1ccc(C(=O)N2CCN(C=O)CC2)nn1.
What is the InChIKey of 4-[6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carbonyl]piperazine-1-carbaldehyde?
The InChIKey is NGEZSMWYIKMWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-27-17-5-3-2-4-15(17)8-9-20-18-7-6-16(21-22-18)19(26)24-12-10-23(14-25)11-13-24/h2-7,14H,8-13H2,1H3,(H,20,22).
What are the key properties of 4-[6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carbonyl]piperazine-1-carbaldehyde?
4-[6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carbonyl]piperazine-1-carbaldehyde has a molecular weight of 369.43 g/mol, XLogP of 1.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carbonyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 109116947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).