6-methylidene-4-[2-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazine

C20H27N3O — CID 89301535

IUPAC6-methylidene-4-[2-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazine
SMILESC=C1C=C(c2ccc(OCCCN3CCC[C@H]3C)cc2C)C=NN1
InChIInChI=1S/C20H27N3O/c1-15-12-19(24-11-5-10-23-9-4-6-17(23)3)7-8-20(15)18-13-16(2)22-21-14-18/h7-8,12-14,17,22H,2,4-6,9-11H2,1,3H3/t17-/m1/s1
InChIKeySOVCKZLTGOFKFR-QGZVFWFLSA-N
MW325.46 g/mol
LogP3.73
Rot. Bonds6

About 6-methylidene-4-[2-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazine

6-methylidene-4-[2-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazine (PubChem CID 89301535) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 6-methylidene-4-[2-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazine.

Molecular Properties

Compound Name6-methylidene-4-[2-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazine
PubChem CID89301535
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name6-methylidene-4-[2-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazine
SMILESC=C1C=C(c2ccc(OCCCN3CCC[C@H]3C)cc2C)C=NN1
InChIInChI=1S/C20H27N3O/c1-15-12-19(24-11-5-10-23-9-4-6-17(23)3)7-8-20(15)18-13-16(2)22-21-14-18/h7-8,12-14,17,22H,2,4-6,9-11H2,1,3H3/t17-/m1/s1
InChIKeySOVCKZLTGOFKFR-QGZVFWFLSA-N
XLogP3.73
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]aniline
CID 57457557
2-methyl-1-[3-(4-methylphenoxy)propyl]piperidine
CID 11948033
(2R)-1-[3-[4-(4-fluorophenoxy)phenoxy]propyl]-2-methylpyrrolidine
CID 141409684
5-methyl-3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazin-6-one
CID 56663350
3-methyl-4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazin-6-one
CID 24995991
8-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-5,6-dihydro-3H-benzo[f]cinnolin-2-one
CID 24994745
2-methyl-1-[3-(3-propan-2-ylphenoxy)propyl]pyrrolidine
CID 91223187
4-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenoxy]piperidine
CID 123180187
2-methyl-7-[3-(2-methylpiperidin-1-yl)propoxy]-3,4-dihydroisoquinolin-1-one
CID 155528188
2-ethyl-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
CID 68715359
[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]methanamine
CID 43253349
3-methyl-2-[2-methyl-4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]pyridine
CID 141127125

Frequently Asked Questions

What is the IUPAC name of 6-methylidene-4-[2-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazine?
The IUPAC name of 6-methylidene-4-[2-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazine (CID 89301535) is 6-methylidene-4-[2-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazine.
What is the SMILES notation for 6-methylidene-4-[2-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazine?
The canonical SMILES for 6-methylidene-4-[2-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazine is C=C1C=C(c2ccc(OCCCN3CCC[C@H]3C)cc2C)C=NN1.
What is the InChIKey of 6-methylidene-4-[2-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazine?
The InChIKey is SOVCKZLTGOFKFR-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H27N3O/c1-15-12-19(24-11-5-10-23-9-4-6-17(23)3)7-8-20(15)18-13-16(2)22-21-14-18/h7-8,12-14,17,22H,2,4-6,9-11H2,1,3H3/t17-/m1/s1.
What are the key properties of 6-methylidene-4-[2-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazine?
6-methylidene-4-[2-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazine has a molecular weight of 325.46 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-4-[2-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazine is sourced from PubChem (CID 89301535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).