3-[6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3-pyridinyl]-1H-pyridazin-6-one

C17H22N4O2 — CID 24992854

IUPAC3-[6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3-pyridinyl]-1H-pyridazin-6-one
SMILESC[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)[nH]n2)cn1
InChIInChI=1S/C17H22N4O2/c1-13-4-2-9-21(13)10-3-11-23-17-8-5-14(12-18-17)15-6-7-16(22)20-19-15/h5-8,12-13H,2-4,9-11H2,1H3,(H,20,22)/t13-/m1/s1
InChIKeyIOJNMGYMVOAFSY-CYBMUJFWSA-N
MW314.39 g/mol
LogP2.09
Rot. Bonds6

About 3-[6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3-pyridinyl]-1H-pyridazin-6-one

3-[6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3-pyridinyl]-1H-pyridazin-6-one (PubChem CID 24992854) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-[6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3-pyridinyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3-pyridinyl]-1H-pyridazin-6-one
PubChem CID24992854
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name3-[6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3-pyridinyl]-1H-pyridazin-6-one
SMILESC[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)[nH]n2)cn1
InChIInChI=1S/C17H22N4O2/c1-13-4-2-9-21(13)10-3-11-23-17-8-5-14(12-18-17)15-6-7-16(22)20-19-15/h5-8,12-13H,2-4,9-11H2,1H3,(H,20,22)/t13-/m1/s1
InChIKeyIOJNMGYMVOAFSY-CYBMUJFWSA-N
XLogP2.09
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.09
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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Frequently Asked Questions

What is the IUPAC name of 3-[6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3-pyridinyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3-pyridinyl]-1H-pyridazin-6-one (CID 24992854) is 3-[6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3-pyridinyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3-pyridinyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3-pyridinyl]-1H-pyridazin-6-one is C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)[nH]n2)cn1.
What is the InChIKey of 3-[6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3-pyridinyl]-1H-pyridazin-6-one?
The InChIKey is IOJNMGYMVOAFSY-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-13-4-2-9-21(13)10-3-11-23-17-8-5-14(12-18-17)15-6-7-16(22)20-19-15/h5-8,12-13H,2-4,9-11H2,1H3,(H,20,22)/t13-/m1/s1.
What are the key properties of 3-[6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3-pyridinyl]-1H-pyridazin-6-one?
3-[6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3-pyridinyl]-1H-pyridazin-6-one has a molecular weight of 314.39 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3-pyridinyl]-1H-pyridazin-6-one is sourced from PubChem (CID 24992854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).