N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-(2-methoxyphenoxy)acetamide

C21H23N5O3 — CID 122321946

IUPACN-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)Nc1ccc(Nc2cc(N(C)C)cnn2)cc1
InChIInChI=1S/C21H23N5O3/c1-26(2)17-12-20(25-22-13-17)23-15-8-10-16(11-9-15)24-21(27)14-29-19-7-5-4-6-18(19)28-3/h4-13H,14H2,1-3H3,(H,23,25)(H,24,27)
InChIKeySLXRGAIZHCKZAB-UHFFFAOYSA-N
MW393.45 g/mol
LogP3.31
Rot. Bonds8

About N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-(2-methoxyphenoxy)acetamide

N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-(2-methoxyphenoxy)acetamide (PubChem CID 122321946) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-(2-methoxyphenoxy)acetamide
PubChem CID122321946
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC NameN-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)Nc1ccc(Nc2cc(N(C)C)cnn2)cc1
InChIInChI=1S/C21H23N5O3/c1-26(2)17-12-20(25-22-13-17)23-15-8-10-16(11-9-15)24-21(27)14-29-19-7-5-4-6-18(19)28-3/h4-13H,14H2,1-3H3,(H,23,25)(H,24,27)
InChIKeySLXRGAIZHCKZAB-UHFFFAOYSA-N
XLogP3.31
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-3-(4-fluorophenyl)urea
CID 122321847
N-[6-(3,5-dimethylanilino)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide
CID 113017092
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-methoxypyridine-4-carboxamide
CID 122322071
2-(2-methoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 675575
N-[4-(4-acetylanilino)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 112988234
2-(2-methoxyphenoxy)-N-(6-methoxy-3-pyridinyl)acetamide
CID 2677021
N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide
CID 113018928
N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-2-(2-methylphenoxy)acetamide
CID 122320774
N-[4-(N-ethylanilino)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 112986562
2-(2-methoxyphenoxy)-N-[6-(2-methylpropylamino)-3-pyridinyl]acetamide
CID 113009626
N-[4-(dimethylamino)phenyl]-3-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]butanamide
CID 3780148
(E)-N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 122322027

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-(2-methoxyphenoxy)acetamide (CID 122321946) is N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)Nc1ccc(Nc2cc(N(C)C)cnn2)cc1.
What is the InChIKey of N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is SLXRGAIZHCKZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-26(2)17-12-20(25-22-13-17)23-15-8-10-16(11-9-15)24-21(27)14-29-19-7-5-4-6-18(19)28-3/h4-13H,14H2,1-3H3,(H,23,25)(H,24,27).
What are the key properties of N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-(2-methoxyphenoxy)acetamide?
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 393.45 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 122321946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).