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

C20H21N7O2 — CID 122354566

IUPAC2-pyrimidin-2-yloxy-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]acetamide
SMILESO=C(COc1ncccn1)Nc1ccc(Nc2cc(N3CCCC3)cnn2)cc1
InChIInChI=1S/C20H21N7O2/c28-19(14-29-20-21-8-3-9-22-20)25-16-6-4-15(5-7-16)24-18-12-17(13-23-26-18)27-10-1-2-11-27/h3-9,12-13H,1-2,10-11,14H2,(H,24,26)(H,25,28)
InChIKeyLELFMQAXFZXTQB-UHFFFAOYSA-N
MW391.44 g/mol
LogP2.63
Rot. Bonds7

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

2-pyrimidin-2-yloxy-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]acetamide (PubChem CID 122354566) has the molecular formula C20H21N7O2 and a molecular weight of 391.44 g/mol. Its IUPAC name is 2-pyrimidin-2-yloxy-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-pyrimidin-2-yloxy-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]acetamide
PubChem CID122354566
Molecular FormulaC20H21N7O2
Molecular Weight391.44 g/mol
Exact Mass391.18
IUPAC Name2-pyrimidin-2-yloxy-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]acetamide
SMILESO=C(COc1ncccn1)Nc1ccc(Nc2cc(N3CCCC3)cnn2)cc1
InChIInChI=1S/C20H21N7O2/c28-19(14-29-20-21-8-3-9-22-20)25-16-6-4-15(5-7-16)24-18-12-17(13-23-26-18)27-10-1-2-11-27/h3-9,12-13H,1-2,10-11,14H2,(H,24,26)(H,25,28)
InChIKeyLELFMQAXFZXTQB-UHFFFAOYSA-N
XLogP2.63
TPSA105.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-pyrimidin-2-yloxy-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-methylphenoxy)-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]acetamide
CID 122354678
1-(4-ethoxyphenyl)-3-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]urea
CID 122354587
2-methyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]benzamide
CID 122354511
1-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]-3-thiophen-2-ylurea
CID 122354873
N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]thiophene-3-carboxamide
CID 122354646
N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]butanamide
CID 122354898
3-(3-methoxyphenyl)-1-methyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]pyrazole-5-carboxamide
CID 122354772
N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]pentanamide
CID 122354899
N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 122354695
1-(4-ethoxyphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
CID 122354979
N-[4-(azepan-1-yl)phenyl]-2-(2-chlorophenoxy)acetamide
CID 7582236
2-(2-chlorophenoxy)-N-(4-piperidin-1-ylphenyl)acetamide
CID 7922500

Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-2-yloxy-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]acetamide?
The IUPAC name of 2-pyrimidin-2-yloxy-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]acetamide (CID 122354566) is 2-pyrimidin-2-yloxy-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]acetamide.
What is the SMILES notation for 2-pyrimidin-2-yloxy-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]acetamide?
The canonical SMILES for 2-pyrimidin-2-yloxy-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]acetamide is O=C(COc1ncccn1)Nc1ccc(Nc2cc(N3CCCC3)cnn2)cc1.
What is the InChIKey of 2-pyrimidin-2-yloxy-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]acetamide?
The InChIKey is LELFMQAXFZXTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O2/c28-19(14-29-20-21-8-3-9-22-20)25-16-6-4-15(5-7-16)24-18-12-17(13-23-26-18)27-10-1-2-11-27/h3-9,12-13H,1-2,10-11,14H2,(H,24,26)(H,25,28).
What are the key properties of 2-pyrimidin-2-yloxy-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]acetamide?
2-pyrimidin-2-yloxy-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]acetamide has a molecular weight of 391.44 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-2-yloxy-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]acetamide is sourced from PubChem (CID 122354566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).