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

C25H28N4O3 — CID 43991945

IUPAC2-(2,3-dimethylphenoxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide
SMILESCc1cccc(OC(C)C(=O)Nc2cccc(-c3ccc(N4CCOCC4)nn3)c2)c1C
InChIInChI=1S/C25H28N4O3/c1-17-6-4-9-23(18(17)2)32-19(3)25(30)26-21-8-5-7-20(16-21)22-10-11-24(28-27-22)29-12-14-31-15-13-29/h4-11,16,19H,12-15H2,1-3H3,(H,26,30)
InChIKeyURRYUMSNRKDWNV-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.00
Rot. Bonds6

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

2-(2,3-dimethylphenoxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide (PubChem CID 43991945) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide
PubChem CID43991945
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name2-(2,3-dimethylphenoxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide
SMILESCc1cccc(OC(C)C(=O)Nc2cccc(-c3ccc(N4CCOCC4)nn3)c2)c1C
InChIInChI=1S/C25H28N4O3/c1-17-6-4-9-23(18(17)2)32-19(3)25(30)26-21-8-5-7-20(16-21)22-10-11-24(28-27-22)29-12-14-31-15-13-29/h4-11,16,19H,12-15H2,1-3H3,(H,26,30)
InChIKeyURRYUMSNRKDWNV-UHFFFAOYSA-N
XLogP4.00
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(2-fluorophenoxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide
CID 42109873
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(2,3-dimethylphenoxy)propanamide
CID 43992265
2-(1,3-benzodioxol-5-yloxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide
CID 43991938
2-(3,4-dimethylphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide
CID 43991672
2-(2-ethylphenoxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide
CID 43991905
2-(4-chloro-3-methylphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide
CID 43991674
N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 43991919
1-(2-ethylphenyl)-3-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea
CID 43991969
2-ethoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7422477
2-(3,5-dimethylphenoxy)-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]propanamide
CID 43991537
N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7422444
2-(3-fluorophenoxy)-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]propanamide
CID 43992084

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide (CID 43991945) is 2-(2,3-dimethylphenoxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide is Cc1cccc(OC(C)C(=O)Nc2cccc(-c3ccc(N4CCOCC4)nn3)c2)c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide?
The InChIKey is URRYUMSNRKDWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-17-6-4-9-23(18(17)2)32-19(3)25(30)26-21-8-5-7-20(16-21)22-10-11-24(28-27-22)29-12-14-31-15-13-29/h4-11,16,19H,12-15H2,1-3H3,(H,26,30).
What are the key properties of 2-(2,3-dimethylphenoxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide?
2-(2,3-dimethylphenoxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide has a molecular weight of 432.52 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide is sourced from PubChem (CID 43991945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).