3-phenyl-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]propanamide

C21H23N7O — CID 113043924

IUPAC3-phenyl-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]propanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(N2CCN(c3ncccn3)CC2)nn1
InChIInChI=1S/C21H23N7O/c29-20(10-7-17-5-2-1-3-6-17)24-18-8-9-19(26-25-18)27-13-15-28(16-14-27)21-22-11-4-12-23-21/h1-6,8-9,11-12H,7,10,13-16H2,(H,24,25,29)
InChIKeyOJLHPVGKKYQMRK-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.16
Rot. Bonds6

About 3-phenyl-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]propanamide

3-phenyl-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]propanamide (PubChem CID 113043924) has the molecular formula C21H23N7O and a molecular weight of 389.46 g/mol. Its IUPAC name is 3-phenyl-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]propanamide
PubChem CID113043924
Molecular FormulaC21H23N7O
Molecular Weight389.46 g/mol
Exact Mass389.20
IUPAC Name3-phenyl-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]propanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(N2CCN(c3ncccn3)CC2)nn1
InChIInChI=1S/C21H23N7O/c29-20(10-7-17-5-2-1-3-6-17)24-18-8-9-19(26-25-18)27-13-15-28(16-14-27)21-22-11-4-12-23-21/h1-6,8-9,11-12H,7,10,13-16H2,(H,24,25,29)
InChIKeyOJLHPVGKKYQMRK-UHFFFAOYSA-N
XLogP2.16
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-phenyl-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]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

2-phenyl-N-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]acetamide
CID 113043868
3-phenyl-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 56699361
ethyl N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]carbamate
CID 113043939
N-(6-morpholin-4-ylpyridazin-3-yl)-2-phenylacetamide
CID 113039672
N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-phenylpropanamide
CID 90543791
3-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42440229
N-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]-3-phenylpropanamide
CID 113050693
2-phenyl-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 56699859
3-(2-phenylethylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 109024262
N-(3-phenylpropyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 109030501
N-(6-morpholin-4-ylpyrimidin-4-yl)-3-phenylpropanamide
CID 90544169
1-phenyl-3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]propan-1-one
CID 177471870

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]propanamide?
The IUPAC name of 3-phenyl-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]propanamide (CID 113043924) is 3-phenyl-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]propanamide.
What is the SMILES notation for 3-phenyl-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]propanamide?
The canonical SMILES for 3-phenyl-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]propanamide is O=C(CCc1ccccc1)Nc1ccc(N2CCN(c3ncccn3)CC2)nn1.
What is the InChIKey of 3-phenyl-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]propanamide?
The InChIKey is OJLHPVGKKYQMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O/c29-20(10-7-17-5-2-1-3-6-17)24-18-8-9-19(26-25-18)27-13-15-28(16-14-27)21-22-11-4-12-23-21/h1-6,8-9,11-12H,7,10,13-16H2,(H,24,25,29).
What are the key properties of 3-phenyl-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]propanamide?
3-phenyl-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]propanamide has a molecular weight of 389.46 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]propanamide is sourced from PubChem (CID 113043924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).