N-[4-[6-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yloxy)pyridazin-3-yl]phenyl]acetamide;hydrochloride

C19H23ClN4O2 — CID 154639843

IUPACN-[4-[6-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yloxy)pyridazin-3-yl]phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(-c2ccc(OC3CC4CNCC4C3)nn2)cc1.Cl
InChIInChI=1S/C19H22N4O2.ClH/c1-12(24)21-16-4-2-13(3-5-16)18-6-7-19(23-22-18)25-17-8-14-10-20-11-15(14)9-17;/h2-7,14-15,17,20H,8-11H2,1H3,(H,21,24);1H
InChIKeyQCGWUQCTKUTPFK-UHFFFAOYSA-N
MW374.87 g/mol
LogP2.90
Rot. Bonds4

About N-[4-[6-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yloxy)pyridazin-3-yl]phenyl]acetamide;hydrochloride

N-[4-[6-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yloxy)pyridazin-3-yl]phenyl]acetamide;hydrochloride (PubChem CID 154639843) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is N-[4-[6-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yloxy)pyridazin-3-yl]phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[6-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yloxy)pyridazin-3-yl]phenyl]acetamide;hydrochloride
PubChem CID154639843
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC NameN-[4-[6-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yloxy)pyridazin-3-yl]phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(-c2ccc(OC3CC4CNCC4C3)nn2)cc1.Cl
InChIInChI=1S/C19H22N4O2.ClH/c1-12(24)21-16-4-2-13(3-5-16)18-6-7-19(23-22-18)25-17-8-14-10-20-11-15(14)9-17;/h2-7,14-15,17,20H,8-11H2,1H3,(H,21,24);1H
InChIKeyQCGWUQCTKUTPFK-UHFFFAOYSA-N
XLogP2.90
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[6-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yloxy)pyridazin-3-yl]phenyl]acetamide;hydrochloride with MolForge

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Related Compounds

2-methoxy-N-[4-(6-methoxypyridazin-3-yl)phenyl]acetamide
CID 134803095
methyl 6-(azetidin-3-yloxy)pyridazine-3-carboxylate
CID 63104615
N-[4-[(3S)-pyrrolidin-3-yl]oxyphenyl]acetamide
CID 86322818
tert-butyl (3aR,6aS)-5-[[6-(4-acetamidophenyl)pyridazin-3-yl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 156511275
2-(4-methoxyphenoxy)-N-[4-(6-methoxypyridazin-3-yl)phenyl]propanamide
CID 43991201
ethyl (2E)-2-[[4-[6-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]pyridazin-3-yl]phenyl]hydrazinylidene]propanoate
CID 11350372
1-[4-(6-ethoxypyridazin-3-yl)phenyl]-3-phenylurea
CID 43991078
2-iodo-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 41089392
N-(4-acetamidophenyl)-2-(azetidin-3-yl)propanamide
CID 116674626
1-(1,3-benzodioxol-5-yl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea
CID 43991227
2-(3,5-dimethoxyphenoxy)-N-[4-(6-methoxypyridazin-3-yl)phenyl]acetamide
CID 43991165
N-[4-(6-methoxypyridazin-3-yl)phenyl]thiophene-2-carboxamide
CID 7593583

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yloxy)pyridazin-3-yl]phenyl]acetamide;hydrochloride?
The IUPAC name of N-[4-[6-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yloxy)pyridazin-3-yl]phenyl]acetamide;hydrochloride (CID 154639843) is N-[4-[6-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yloxy)pyridazin-3-yl]phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[4-[6-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yloxy)pyridazin-3-yl]phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[4-[6-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yloxy)pyridazin-3-yl]phenyl]acetamide;hydrochloride is CC(=O)Nc1ccc(-c2ccc(OC3CC4CNCC4C3)nn2)cc1.Cl.
What is the InChIKey of N-[4-[6-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yloxy)pyridazin-3-yl]phenyl]acetamide;hydrochloride?
The InChIKey is QCGWUQCTKUTPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2.ClH/c1-12(24)21-16-4-2-13(3-5-16)18-6-7-19(23-22-18)25-17-8-14-10-20-11-15(14)9-17;/h2-7,14-15,17,20H,8-11H2,1H3,(H,21,24);1H.
What are the key properties of N-[4-[6-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yloxy)pyridazin-3-yl]phenyl]acetamide;hydrochloride?
N-[4-[6-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yloxy)pyridazin-3-yl]phenyl]acetamide;hydrochloride has a molecular weight of 374.87 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yloxy)pyridazin-3-yl]phenyl]acetamide;hydrochloride is sourced from PubChem (CID 154639843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).