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

C24H26N4O2 — CID 43992490

IUPAC2-(2,3-dimethylphenoxy)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
SMILESCc1cccc(OCC(=O)Nc2ccc(-c3ccc(N4CCCC4)nn3)cc2)c1C
InChIInChI=1S/C24H26N4O2/c1-17-6-5-7-22(18(17)2)30-16-24(29)25-20-10-8-19(9-11-20)21-12-13-23(27-26-21)28-14-3-4-15-28/h5-13H,3-4,14-16H2,1-2H3,(H,25,29)
InChIKeySZLFSZJJLGWBPN-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.38
Rot. Bonds6

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

2-(2,3-dimethylphenoxy)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide (PubChem CID 43992490) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
PubChem CID43992490
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name2-(2,3-dimethylphenoxy)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
SMILESCc1cccc(OCC(=O)Nc2ccc(-c3ccc(N4CCCC4)nn3)cc2)c1C
InChIInChI=1S/C24H26N4O2/c1-17-6-5-7-22(18(17)2)30-16-24(29)25-20-10-8-19(9-11-20)21-12-13-23(27-26-21)28-14-3-4-15-28/h5-13H,3-4,14-16H2,1-2H3,(H,25,29)
InChIKeySZLFSZJJLGWBPN-UHFFFAOYSA-N
XLogP4.38
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-2-(2,3,5-trimethylphenoxy)acetamide
CID 43992652
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(2,3-dimethylphenoxy)propanamide
CID 43992265
2-(3,4-dimethylphenoxy)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43992474
2-(2-cyanophenoxy)-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43992610
2-(4-fluorophenoxy)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43992502
2-(2-methoxyphenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43992910
2-(2-methoxyphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43991643
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3,5-dimethoxyphenoxy)acetamide
CID 43992220
2-(2,3-dimethylphenoxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide
CID 90544545
2-(4-ethylphenoxy)-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43992634
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-tert-butylphenoxy)acetamide
CID 43992204
2-[3-(diethylamino)phenoxy]-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43992622

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide (CID 43992490) is 2-(2,3-dimethylphenoxy)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide is Cc1cccc(OCC(=O)Nc2ccc(-c3ccc(N4CCCC4)nn3)cc2)c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide?
The InChIKey is SZLFSZJJLGWBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-17-6-5-7-22(18(17)2)30-16-24(29)25-20-10-8-19(9-11-20)21-12-13-23(27-26-21)28-14-3-4-15-28/h5-13H,3-4,14-16H2,1-2H3,(H,25,29).
What are the key properties of 2-(2,3-dimethylphenoxy)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide?
2-(2,3-dimethylphenoxy)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide has a molecular weight of 402.50 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide is sourced from PubChem (CID 43992490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).