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

C25H28N4O2 — CID 43991672

IUPAC2-(3,4-dimethylphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2cccc(-c3ccc(N4CCCC4)nn3)c2)cc1C
InChIInChI=1S/C25H28N4O2/c1-17-9-10-22(15-18(17)2)31-19(3)25(30)26-21-8-6-7-20(16-21)23-11-12-24(28-27-23)29-13-4-5-14-29/h6-12,15-16,19H,4-5,13-14H2,1-3H3,(H,26,30)
InChIKeyFUIDHBXYTVLXCT-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.77
Rot. Bonds6

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

2-(3,4-dimethylphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide (PubChem CID 43991672) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide
PubChem CID43991672
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name2-(3,4-dimethylphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2cccc(-c3ccc(N4CCCC4)nn3)c2)cc1C
InChIInChI=1S/C25H28N4O2/c1-17-9-10-22(15-18(17)2)31-19(3)25(30)26-21-8-6-7-20(16-21)23-11-12-24(28-27-23)29-13-4-5-14-29/h6-12,15-16,19H,4-5,13-14H2,1-3H3,(H,26,30)
InChIKeyFUIDHBXYTVLXCT-UHFFFAOYSA-N
XLogP4.77
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide
CID 43991674
2-(4-ethoxyphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide
CID 43991668
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3,4-dimethylphenoxy)acetamide
CID 43991338
2-(3,5-dimethylphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]propanamide
CID 43991537
2-(3-fluorophenoxy)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]propanamide
CID 43992084
2-(1,3-benzodioxol-5-yloxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide
CID 43991938
2-(2,3-dimethylphenoxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide
CID 43991945
1-(2,4-dimethoxyphenyl)-3-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43991686
1-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-(2,5-dimethylphenyl)urea
CID 43991451
N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]-2-[3-(trifluoromethyl)phenoxy]propanamide
CID 43992532
2-(4-methoxyphenoxy)-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]propanamide
CID 43992664
1-(5-chloro-2-methylphenyl)-3-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43991715

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide (CID 43991672) is 2-(3,4-dimethylphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide is Cc1ccc(OC(C)C(=O)Nc2cccc(-c3ccc(N4CCCC4)nn3)c2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide?
The InChIKey is FUIDHBXYTVLXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-17-9-10-22(15-18(17)2)31-19(3)25(30)26-21-8-6-7-20(16-21)23-11-12-24(28-27-23)29-13-4-5-14-29/h6-12,15-16,19H,4-5,13-14H2,1-3H3,(H,26,30).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide?
2-(3,4-dimethylphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide has a molecular weight of 416.53 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide is sourced from PubChem (CID 43991672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).