2-(4-chloro-3-methylphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide

C24H25ClN4O2 — CID 43991674

IUPAC2-(4-chloro-3-methylphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide
SMILESCc1cc(OC(C)C(=O)Nc2cccc(-c3ccc(N4CCCC4)nn3)c2)ccc1Cl
InChIInChI=1S/C24H25ClN4O2/c1-16-14-20(8-9-21(16)25)31-17(2)24(30)26-19-7-5-6-18(15-19)22-10-11-23(28-27-22)29-12-3-4-13-29/h5-11,14-15,17H,3-4,12-13H2,1-2H3,(H,26,30)
InChIKeyJFUZOGZNYOIYPG-UHFFFAOYSA-N
MW436.94 g/mol
LogP5.11
Rot. Bonds6

About 2-(4-chloro-3-methylphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide

2-(4-chloro-3-methylphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide (PubChem CID 43991674) has the molecular formula C24H25ClN4O2 and a molecular weight of 436.94 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide
PubChem CID43991674
Molecular FormulaC24H25ClN4O2
Molecular Weight436.94 g/mol
Exact Mass436.17
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide
SMILESCc1cc(OC(C)C(=O)Nc2cccc(-c3ccc(N4CCCC4)nn3)c2)ccc1Cl
InChIInChI=1S/C24H25ClN4O2/c1-16-14-20(8-9-21(16)25)31-17(2)24(30)26-19-7-5-6-18(15-19)22-10-11-23(28-27-22)29-12-3-4-13-29/h5-11,14-15,17H,3-4,12-13H2,1-2H3,(H,26,30)
InChIKeyJFUZOGZNYOIYPG-UHFFFAOYSA-N
XLogP5.11
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.94
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethylphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide
CID 43991672
2-(4-ethoxyphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide
CID 43991668
2-(3-fluorophenoxy)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]propanamide
CID 43992084
2-(3,5-dimethylphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]propanamide
CID 43991537
1-(3-chloro-2-methylphenyl)-3-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43991842
1-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-(3-chloro-2-methylphenyl)urea
CID 43991436
2-(1,3-benzodioxol-5-yloxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide
CID 43991938
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3,4-dimethylphenoxy)acetamide
CID 43991338
2-(2,3-dimethylphenoxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide
CID 43991945
1-(5-chloro-2-methylphenyl)-3-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43991715
1-(5-chloro-2-methylphenyl)-3-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43991851
1-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-(5-chloro-2-methylphenyl)urea
CID 43991445

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide (CID 43991674) is 2-(4-chloro-3-methylphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide is Cc1cc(OC(C)C(=O)Nc2cccc(-c3ccc(N4CCCC4)nn3)c2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide?
The InChIKey is JFUZOGZNYOIYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O2/c1-16-14-20(8-9-21(16)25)31-17(2)24(30)26-19-7-5-6-18(15-19)22-10-11-23(28-27-22)29-12-3-4-13-29/h5-11,14-15,17H,3-4,12-13H2,1-2H3,(H,26,30).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide?
2-(4-chloro-3-methylphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide has a molecular weight of 436.94 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide is sourced from PubChem (CID 43991674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).