2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide

C25H28N6O2 — CID 122278659

IUPAC2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide
SMILESCC1CCN(c2ccc(-c3ccc(NC(=O)Cn4nc(C5CC5)ccc4=O)cc3)nn2)CC1
InChIInChI=1S/C25H28N6O2/c1-17-12-14-30(15-13-17)23-10-8-21(27-28-23)18-4-6-20(7-5-18)26-24(32)16-31-25(33)11-9-22(29-31)19-2-3-19/h4-11,17,19H,2-3,12-16H2,1H3,(H,26,32)
InChIKeyILGKGCTVZDMMCO-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.45
Rot. Bonds6

About 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide

2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide (PubChem CID 122278659) has the molecular formula C25H28N6O2 and a molecular weight of 444.54 g/mol. Its IUPAC name is 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide
PubChem CID122278659
Molecular FormulaC25H28N6O2
Molecular Weight444.54 g/mol
Exact Mass444.23
IUPAC Name2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide
SMILESCC1CCN(c2ccc(-c3ccc(NC(=O)Cn4nc(C5CC5)ccc4=O)cc3)nn2)CC1
InChIInChI=1S/C25H28N6O2/c1-17-12-14-30(15-13-17)23-10-8-21(27-28-23)18-4-6-20(7-5-18)26-24(32)16-31-25(33)11-9-22(29-31)19-2-3-19/h4-11,17,19H,2-3,12-16H2,1H3,(H,26,32)
InChIKeyILGKGCTVZDMMCO-UHFFFAOYSA-N
XLogP3.45
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide 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-cyclopropyl-6-oxopyridazin-1-yl)-N-(4-methylphenyl)acetamide
CID 122278467
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide
CID 122279108
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 122278381
2-(2,4-dimethylphenoxy)-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43992358
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 122278422
N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 41089285
N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-pyrrol-1-ylbenzamide
CID 121046365
N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-phenoxybenzamide
CID 121046362
N-(4-acetamidophenyl)-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 7659832
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 122278568
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(3-fluorophenyl)acetamide
CID 122278424
N-(4-bromophenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7660079

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide?
The IUPAC name of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide (CID 122278659) is 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide.
What is the SMILES notation for 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide?
The canonical SMILES for 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide is CC1CCN(c2ccc(-c3ccc(NC(=O)Cn4nc(C5CC5)ccc4=O)cc3)nn2)CC1.
What is the InChIKey of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide?
The InChIKey is ILGKGCTVZDMMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2/c1-17-12-14-30(15-13-17)23-10-8-21(27-28-23)18-4-6-20(7-5-18)26-24(32)16-31-25(33)11-9-22(29-31)19-2-3-19/h4-11,17,19H,2-3,12-16H2,1H3,(H,26,32).
What are the key properties of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide?
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide has a molecular weight of 444.54 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide is sourced from PubChem (CID 122278659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).