2-phenoxy-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]acetamide

C21H18N6O2 — CID 70702527

IUPAC2-phenoxy-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]acetamide
SMILESO=C(COc1ccccc1)Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1
InChIInChI=1S/C21H18N6O2/c28-21(15-29-18-5-2-1-3-6-18)24-17-9-7-16(8-10-17)23-19-11-12-20(26-25-19)27-14-4-13-22-27/h1-14H,15H2,(H,23,25)(H,24,28)
InChIKeyWBSZRCQGVCTNEX-UHFFFAOYSA-N
MW386.42 g/mol
LogP3.42
Rot. Bonds7

About 2-phenoxy-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]acetamide

2-phenoxy-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]acetamide (PubChem CID 70702527) has the molecular formula C21H18N6O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is 2-phenoxy-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-phenoxy-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]acetamide
PubChem CID70702527
Molecular FormulaC21H18N6O2
Molecular Weight386.42 g/mol
Exact Mass386.15
IUPAC Name2-phenoxy-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]acetamide
SMILESO=C(COc1ccccc1)Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1
InChIInChI=1S/C21H18N6O2/c28-21(15-29-18-5-2-1-3-6-18)24-17-9-7-16(8-10-17)23-19-11-12-20(26-25-19)27-14-4-13-22-27/h1-14H,15H2,(H,23,25)(H,24,28)
InChIKeyWBSZRCQGVCTNEX-UHFFFAOYSA-N
XLogP3.42
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-2-pyrrol-1-ylacetamide
CID 122292130
3,3,3-trifluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]propanamide
CID 122292138
benzyl N-[2-oxo-2-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]anilino]ethyl]carbamate
CID 122292113
2-(4-methoxyphenoxy)-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122290600
N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]pyrazine-2-carboxamide
CID 56921644
2,2-dimethyl-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]propanamide
CID 70702543
4-phenoxy-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide
CID 25333573
2-(6-pyrazol-1-ylpyridazin-3-yl)oxy-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 71799683
4-phenoxy-N-(4-pyrazol-1-ylphenyl)butanamide
CID 31907161
2-(4-fluorophenoxy)-N-(4-pyrazol-1-ylphenyl)acetamide
CID 38416896
2-(2-chloro-6-fluorophenyl)-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]acetamide
CID 122292158
N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 122292140

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]acetamide?
The IUPAC name of 2-phenoxy-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]acetamide (CID 70702527) is 2-phenoxy-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]acetamide.
What is the SMILES notation for 2-phenoxy-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]acetamide?
The canonical SMILES for 2-phenoxy-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]acetamide is O=C(COc1ccccc1)Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1.
What is the InChIKey of 2-phenoxy-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]acetamide?
The InChIKey is WBSZRCQGVCTNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O2/c28-21(15-29-18-5-2-1-3-6-18)24-17-9-7-16(8-10-17)23-19-11-12-20(26-25-19)27-14-4-13-22-27/h1-14H,15H2,(H,23,25)(H,24,28).
What are the key properties of 2-phenoxy-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]acetamide?
2-phenoxy-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]acetamide has a molecular weight of 386.42 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]acetamide is sourced from PubChem (CID 70702527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).