3-(4-methoxyphenyl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]propanamide

C21H24N6O2 — CID 122289361

IUPAC3-(4-methoxyphenyl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]propanamide
SMILESCOc1ccc(CCC(=O)NCCNc2ccc(Nc3cccnc3)nn2)cc1
InChIInChI=1S/C21H24N6O2/c1-29-18-7-4-16(5-8-18)6-11-21(28)24-14-13-23-19-9-10-20(27-26-19)25-17-3-2-12-22-15-17/h2-5,7-10,12,15H,6,11,13-14H2,1H3,(H,23,26)(H,24,28)(H,25,27)
InChIKeyYUNSFEPVFWBLEO-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.78
Rot. Bonds10

About 3-(4-methoxyphenyl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]propanamide

3-(4-methoxyphenyl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]propanamide (PubChem CID 122289361) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]propanamide
PubChem CID122289361
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name3-(4-methoxyphenyl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]propanamide
SMILESCOc1ccc(CCC(=O)NCCNc2ccc(Nc3cccnc3)nn2)cc1
InChIInChI=1S/C21H24N6O2/c1-29-18-7-4-16(5-8-18)6-11-21(28)24-14-13-23-19-9-10-20(27-26-19)25-17-3-2-12-22-15-17/h2-5,7-10,12,15H,6,11,13-14H2,1H3,(H,23,26)(H,24,28)(H,25,27)
InChIKeyYUNSFEPVFWBLEO-UHFFFAOYSA-N
XLogP2.78
TPSA101.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-(4-methoxyphenyl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]propanamide 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

4-butoxy-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 121066466
2-(1,3-dioxoisoindol-2-yl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
CID 122289366
N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]cyclopropanecarboxamide
CID 122289299
4-chloro-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 121066456
N-[2-(4-methoxyphenyl)ethyl]-3-(pyridin-3-ylamino)benzamide
CID 117087950
N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]-1-benzofuran-2-carboxamide
CID 122289354
2-(1H-indol-3-yl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
CID 121066481
3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide
CID 4661025
3-bromo-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 121066486
1-(4-fluorophenyl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]cyclopropane-1-carboxamide
CID 122289421
6-methoxy-4-N-[2-(4-methoxyphenyl)ethyl]-2-N-pyridin-3-yl-1,3,5-triazine-2,4-diamine
CID 117093191
N-[[4-[3-(4-methoxyphenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108925746

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]propanamide (CID 122289361) is 3-(4-methoxyphenyl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]propanamide is COc1ccc(CCC(=O)NCCNc2ccc(Nc3cccnc3)nn2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]propanamide?
The InChIKey is YUNSFEPVFWBLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-29-18-7-4-16(5-8-18)6-11-21(28)24-14-13-23-19-9-10-20(27-26-19)25-17-3-2-12-22-15-17/h2-5,7-10,12,15H,6,11,13-14H2,1H3,(H,23,26)(H,24,28)(H,25,27).
What are the key properties of 3-(4-methoxyphenyl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]propanamide?
3-(4-methoxyphenyl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]propanamide has a molecular weight of 392.46 g/mol, XLogP of 2.78, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]propanamide is sourced from PubChem (CID 122289361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).