N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-naphthalen-1-ylacetamide

C28H28N4O — CID 43992248

IUPACN-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)Nc1ccc(-c2ccc(N3CCCCCC3)nn2)cc1
InChIInChI=1S/C28H28N4O/c33-28(20-23-10-7-9-21-8-3-4-11-25(21)23)29-24-14-12-22(13-15-24)26-16-17-27(31-30-26)32-18-5-1-2-6-19-32/h3-4,7-17H,1-2,5-6,18-20H2,(H,29,33)
InChIKeyZTKLVXVCXWQTLK-UHFFFAOYSA-N
MW436.56 g/mol
LogP5.86
Rot. Bonds5

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

N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-naphthalen-1-ylacetamide (PubChem CID 43992248) has the molecular formula C28H28N4O and a molecular weight of 436.56 g/mol. Its IUPAC name is N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-naphthalen-1-ylacetamide
PubChem CID43992248
Molecular FormulaC28H28N4O
Molecular Weight436.56 g/mol
Exact Mass436.23
IUPAC NameN-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)Nc1ccc(-c2ccc(N3CCCCCC3)nn2)cc1
InChIInChI=1S/C28H28N4O/c33-28(20-23-10-7-9-21-8-3-4-11-25(21)23)29-24-14-12-22(13-15-24)26-16-17-27(31-30-26)32-18-5-1-2-6-19-32/h3-4,7-17H,1-2,5-6,18-20H2,(H,29,33)
InChIKeyZTKLVXVCXWQTLK-UHFFFAOYSA-N
XLogP5.86
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-2-naphthalen-1-ylacetamide
CID 43991523
2-(4-fluorophenyl)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 7593264
2-(2-chlorophenyl)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43992928
1-phenyl-3-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43992543
N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 8670425
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 121046287
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-phenylbenzamide
CID 43992160
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-methylphenyl)acetamide
CID 43991392
2-(2-methoxyphenyl)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide
CID 43992796
1-(4-methylphenyl)-3-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43992694
2-ethoxy-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]naphthalene-1-carboxamide
CID 121046316
2-(2-cyanophenoxy)-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43992610

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-naphthalen-1-ylacetamide (CID 43992248) is N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-naphthalen-1-ylacetamide is O=C(Cc1cccc2ccccc12)Nc1ccc(-c2ccc(N3CCCCCC3)nn2)cc1.
What is the InChIKey of N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-naphthalen-1-ylacetamide?
The InChIKey is ZTKLVXVCXWQTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O/c33-28(20-23-10-7-9-21-8-3-4-11-25(21)23)29-24-14-12-22(13-15-24)26-16-17-27(31-30-26)32-18-5-1-2-6-19-32/h3-4,7-17H,1-2,5-6,18-20H2,(H,29,33).
What are the key properties of N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-naphthalen-1-ylacetamide?
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-naphthalen-1-ylacetamide has a molecular weight of 436.56 g/mol, XLogP of 5.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 43992248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).