2-(4-methoxyphenoxy)-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]propanamide

C25H28N4O3 — CID 43992664

IUPAC2-(4-methoxyphenoxy)-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]propanamide
SMILESCOc1ccc(OC(C)C(=O)Nc2ccc(-c3ccc(N4CCCCC4)nn3)cc2)cc1
InChIInChI=1S/C25H28N4O3/c1-18(32-22-12-10-21(31-2)11-13-22)25(30)26-20-8-6-19(7-9-20)23-14-15-24(28-27-23)29-16-4-3-5-17-29/h6-15,18H,3-5,16-17H2,1-2H3,(H,26,30)
InChIKeyJYDIYKVFMBHJKI-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.55
Rot. Bonds7

About 2-(4-methoxyphenoxy)-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]propanamide

2-(4-methoxyphenoxy)-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]propanamide (PubChem CID 43992664) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]propanamide
PubChem CID43992664
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name2-(4-methoxyphenoxy)-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]propanamide
SMILESCOc1ccc(OC(C)C(=O)Nc2ccc(-c3ccc(N4CCCCC4)nn3)cc2)cc1
InChIInChI=1S/C25H28N4O3/c1-18(32-22-12-10-21(31-2)11-13-22)25(30)26-20-8-6-19(7-9-20)23-14-15-24(28-27-23)29-16-4-3-5-17-29/h6-15,18H,3-5,16-17H2,1-2H3,(H,26,30)
InChIKeyJYDIYKVFMBHJKI-UHFFFAOYSA-N
XLogP4.55
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]-2-[3-(trifluoromethyl)phenoxy]propanamide
CID 43992532
2-(4-methoxyphenoxy)-N-[4-(6-methoxypyridazin-3-yl)phenyl]propanamide
CID 43991201
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(2,3-dimethylphenoxy)propanamide
CID 43992265
1-(2,4-dimethoxyphenyl)-3-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43992686
3-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridazine
CID 101436801
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3,5-dimethoxyphenoxy)acetamide
CID 43992220
2-(4-ethoxyphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide
CID 43991668
2-(3,4-dimethylphenoxy)-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]propanamide
CID 43991672
N-(4-methoxyphenyl)-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 50816225
N-(4-methoxyphenyl)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025290
1-(4-methylphenyl)-3-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43992694
2-(4-methylphenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 43041620

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]propanamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]propanamide (CID 43992664) is 2-(4-methoxyphenoxy)-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]propanamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]propanamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]propanamide is COc1ccc(OC(C)C(=O)Nc2ccc(-c3ccc(N4CCCCC4)nn3)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]propanamide?
The InChIKey is JYDIYKVFMBHJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-18(32-22-12-10-21(31-2)11-13-22)25(30)26-20-8-6-19(7-9-20)23-14-15-24(28-27-23)29-16-4-3-5-17-29/h6-15,18H,3-5,16-17H2,1-2H3,(H,26,30).
What are the key properties of 2-(4-methoxyphenoxy)-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]propanamide?
2-(4-methoxyphenoxy)-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]propanamide has a molecular weight of 432.52 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]propanamide is sourced from PubChem (CID 43992664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).