3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-5-pyridin-2-yl-1H-pyridazin-6-one

C23H26N4O2 — CID 24994744

IUPAC3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-5-pyridin-2-yl-1H-pyridazin-6-one
SMILESC[C@@H]1CCCN1CCCOc1ccc(-c2cc(-c3ccccn3)c(=O)[nH]n2)cc1
InChIInChI=1S/C23H26N4O2/c1-17-6-4-13-27(17)14-5-15-29-19-10-8-18(9-11-19)22-16-20(23(28)26-25-22)21-7-2-3-12-24-21/h2-3,7-12,16-17H,4-6,13-15H2,1H3,(H,26,28)/t17-/m1/s1
InChIKeyIUXXMWRCYIUEAV-QGZVFWFLSA-N
MW390.49 g/mol
LogP3.75
Rot. Bonds7

About 3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-5-pyridin-2-yl-1H-pyridazin-6-one

3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-5-pyridin-2-yl-1H-pyridazin-6-one (PubChem CID 24994744) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-5-pyridin-2-yl-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-5-pyridin-2-yl-1H-pyridazin-6-one
PubChem CID24994744
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-5-pyridin-2-yl-1H-pyridazin-6-one
SMILESC[C@@H]1CCCN1CCCOc1ccc(-c2cc(-c3ccccn3)c(=O)[nH]n2)cc1
InChIInChI=1S/C23H26N4O2/c1-17-6-4-13-27(17)14-5-15-29-19-10-8-18(9-11-19)22-16-20(23(28)26-25-22)21-7-2-3-12-24-21/h2-3,7-12,16-17H,4-6,13-15H2,1H3,(H,26,28)/t17-/m1/s1
InChIKeyIUXXMWRCYIUEAV-QGZVFWFLSA-N
XLogP3.75
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[(E)-(4-methoxyphenyl)methylidene]pyridine-4-carbohydrazide
CID 5390727
2-[4-(1-methylpyrrole-2-carbonyl)piperazin-1-yl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone
CID 49856086
N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]pyridine-2-carboxamide
CID 6880157
3-(2-(Benzyloxy)phenyl)-N'-(3-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 9560074
4-[(4-ethoxyphenoxy)methyl]-N-(1H-pyrrol-2-ylmethylideneamino)benzamide
CID 2400243
N'-[4-(4-methylphenoxy)butanoyl]pyridine-2-carbohydrazide
CID 4790015
N'-[2-(4-methoxyphenyl)acetyl]pyridine-2-carbohydrazide
CID 5099490
N'-[(Z)-(3-methoxyphenyl)methylidene]-6-methylpyridine-3-carbohydrazide
CID 5405093
N-[(E)-(4-isopentyloxyphenyl)methyleneamino]pyridine-4-carboxamide
CID 6035218
4-(benzyloxy)-N'-[(E)-pyridin-4-ylmethylidene]benzohydrazide
CID 6867032
3-(4-propan-2-yloxyphenyl)-N-[(E)-pyridin-4-ylmethylideneamino]propanamide
CID 6882354
6-Methyl-nicotinic acid (2-methoxy-benzylidene)-hydrazide
CID 7334486

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-5-pyridin-2-yl-1H-pyridazin-6-one?
The IUPAC name of 3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-5-pyridin-2-yl-1H-pyridazin-6-one (CID 24994744) is 3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-5-pyridin-2-yl-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-5-pyridin-2-yl-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-5-pyridin-2-yl-1H-pyridazin-6-one is C[C@@H]1CCCN1CCCOc1ccc(-c2cc(-c3ccccn3)c(=O)[nH]n2)cc1.
What is the InChIKey of 3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-5-pyridin-2-yl-1H-pyridazin-6-one?
The InChIKey is IUXXMWRCYIUEAV-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-17-6-4-13-27(17)14-5-15-29-19-10-8-18(9-11-19)22-16-20(23(28)26-25-22)21-7-2-3-12-24-21/h2-3,7-12,16-17H,4-6,13-15H2,1H3,(H,26,28)/t17-/m1/s1.
What are the key properties of 3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-5-pyridin-2-yl-1H-pyridazin-6-one?
3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-5-pyridin-2-yl-1H-pyridazin-6-one has a molecular weight of 390.49 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-5-pyridin-2-yl-1H-pyridazin-6-one is sourced from PubChem (CID 24994744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).