N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-methylphenyl)acetamide

C25H28N4O — CID 43991392

IUPACN-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2cccc(-c3ccc(N4CCCCCC4)nn3)c2)cc1
InChIInChI=1S/C25H28N4O/c1-19-9-11-20(12-10-19)17-25(30)26-22-8-6-7-21(18-22)23-13-14-24(28-27-23)29-15-4-2-3-5-16-29/h6-14,18H,2-5,15-17H2,1H3,(H,26,30)
InChIKeyGIZABZMNSGGLRG-UHFFFAOYSA-N
MW400.53 g/mol
LogP5.01
Rot. Bonds5

About N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-methylphenyl)acetamide

N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-methylphenyl)acetamide (PubChem CID 43991392) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-methylphenyl)acetamide
PubChem CID43991392
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC NameN-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2cccc(-c3ccc(N4CCCCCC4)nn3)c2)cc1
InChIInChI=1S/C25H28N4O/c1-19-9-11-20(12-10-19)17-25(30)26-22-8-6-7-21(18-22)23-13-14-24(28-27-23)29-15-4-2-3-5-16-29/h6-14,18H,2-5,15-17H2,1H3,(H,26,30)
InChIKeyGIZABZMNSGGLRG-UHFFFAOYSA-N
XLogP5.01
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.53
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-phenylacetamide
CID 7593151
2-(4-ethylphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43991637
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3,3-diphenylpropanamide
CID 43991321
2-(4-fluorophenyl)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide
CID 7422439
1-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-(2,5-dimethylphenyl)urea
CID 43991451
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3,4-dimethylphenoxy)acetamide
CID 43991338
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-phenoxyacetamide
CID 8670390
1-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-phenylurea
CID 43991408
2-(4-methoxyphenoxy)-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43991777
2-(4-acetamidophenoxy)-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43991753
2-(2-methoxyphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43991643
2-(4-fluorophenyl)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 7593264

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-methylphenyl)acetamide (CID 43991392) is N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)Nc2cccc(-c3ccc(N4CCCCCC4)nn3)c2)cc1.
What is the InChIKey of N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-methylphenyl)acetamide?
The InChIKey is GIZABZMNSGGLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c1-19-9-11-20(12-10-19)17-25(30)26-22-8-6-7-21(18-22)23-13-14-24(28-27-23)29-15-4-2-3-5-16-29/h6-14,18H,2-5,15-17H2,1H3,(H,26,30).
What are the key properties of N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-methylphenyl)acetamide?
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-methylphenyl)acetamide has a molecular weight of 400.53 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 43991392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).