2-(3-methylphenoxy)-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]acetamide

C23H25N5O2 — CID 122354678

IUPAC2-(3-methylphenoxy)-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]acetamide
SMILESCc1cccc(OCC(=O)Nc2ccc(Nc3cc(N4CCCC4)cnn3)cc2)c1
InChIInChI=1S/C23H25N5O2/c1-17-5-4-6-21(13-17)30-16-23(29)26-19-9-7-18(8-10-19)25-22-14-20(15-24-27-22)28-11-2-3-12-28/h4-10,13-15H,2-3,11-12,16H2,1H3,(H,25,27)(H,26,29)
InChIKeyKVEIJYRRZTWLSZ-UHFFFAOYSA-N
MW403.49 g/mol
LogP4.15
Rot. Bonds7

About 2-(3-methylphenoxy)-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]acetamide

2-(3-methylphenoxy)-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]acetamide (PubChem CID 122354678) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]acetamide
PubChem CID122354678
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name2-(3-methylphenoxy)-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]acetamide
SMILESCc1cccc(OCC(=O)Nc2ccc(Nc3cc(N4CCCC4)cnn3)cc2)c1
InChIInChI=1S/C23H25N5O2/c1-17-5-4-6-21(13-17)30-16-23(29)26-19-9-7-18(8-10-19)25-22-14-20(15-24-27-22)28-11-2-3-12-28/h4-10,13-15H,2-3,11-12,16H2,1H3,(H,25,27)(H,26,29)
InChIKeyKVEIJYRRZTWLSZ-UHFFFAOYSA-N
XLogP4.15
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-pyrimidin-2-yloxy-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]acetamide
CID 122354566
1-(4-ethoxyphenyl)-3-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]urea
CID 122354587
N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]-2-(3-methylphenoxy)acetamide
CID 122297687
2-methyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzamide
CID 122354511
2-(3-methylphenoxy)-N-[4-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687320
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 3-(3-methylphenoxy)propanoate
CID 7840372
3-(3-methoxyphenyl)-1-methyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]pyrazole-5-carboxamide
CID 122354772
N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-phenoxyacetamide
CID 121090371
2-(4-chloro-3,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 1245566
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
1-(4-ethoxyphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
CID 122354979
2-(3-methylphenoxy)-N-(4-methylsulfanylphenyl)acetamide
CID 9153755

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]acetamide (CID 122354678) is 2-(3-methylphenoxy)-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]acetamide is Cc1cccc(OCC(=O)Nc2ccc(Nc3cc(N4CCCC4)cnn3)cc2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]acetamide?
The InChIKey is KVEIJYRRZTWLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-17-5-4-6-21(13-17)30-16-23(29)26-19-9-7-18(8-10-19)25-22-14-20(15-24-27-22)28-11-2-3-12-28/h4-10,13-15H,2-3,11-12,16H2,1H3,(H,25,27)(H,26,29).
What are the key properties of 2-(3-methylphenoxy)-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]acetamide?
2-(3-methylphenoxy)-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]acetamide has a molecular weight of 403.49 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]acetamide is sourced from PubChem (CID 122354678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).