2-methyl-6-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidine-1-carbonyl]pyridazin-3-one

C19H23N3O2 — CID 95592322

IUPAC2-methyl-6-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidine-1-carbonyl]pyridazin-3-one
SMILESCC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C19H23N3O2/c1-3-15(14-8-5-4-6-9-14)17-10-7-13-22(17)19(24)16-11-12-18(23)21(2)20-16/h4-6,8-9,11-12,15,17H,3,7,10,13H2,1-2H3/t15-,17+/m1/s1
InChIKeyUVOPQZVBEGZCMS-WBVHZDCISA-N
MW325.41 g/mol
LogP2.58
Rot. Bonds4

About 2-methyl-6-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidine-1-carbonyl]pyridazin-3-one

2-methyl-6-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidine-1-carbonyl]pyridazin-3-one (PubChem CID 95592322) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-methyl-6-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidine-1-carbonyl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidine-1-carbonyl]pyridazin-3-one
PubChem CID95592322
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-methyl-6-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidine-1-carbonyl]pyridazin-3-one
SMILESCC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C19H23N3O2/c1-3-15(14-8-5-4-6-9-14)17-10-7-13-22(17)19(24)16-11-12-18(23)21(2)20-16/h4-6,8-9,11-12,15,17H,3,7,10,13H2,1-2H3/t15-,17+/m1/s1
InChIKeyUVOPQZVBEGZCMS-WBVHZDCISA-N
XLogP2.58
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methylpyrazin-2-yl)-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 94801465
3-methyl-1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidine-2-carboxylic acid
CID 107069832
6-[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidine-1-carbonyl]-2-methylpyridazin-3-one
CID 95736213
[6-(diethylamino)-3-pyridinyl]-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 95592365
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone
CID 120627587
(5-bromo-3-pyridinyl)-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 95592245
(4-bromo-1H-pyrrol-2-yl)-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 97025872
(2-ethyl-4-methyl-1,3-thiazol-5-yl)-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 96997050
(2,3-dimethylquinoxalin-6-yl)-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone
CID 56800405
(3-methoxyphenyl)-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 95592187
4-amino-3-methoxy-1-[2-(1-phenylpropyl)pyrrolidin-1-yl]butan-1-one
CID 120590724
1H-indol-6-yl-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]methanone
CID 95592234

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidine-1-carbonyl]pyridazin-3-one?
The IUPAC name of 2-methyl-6-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidine-1-carbonyl]pyridazin-3-one (CID 95592322) is 2-methyl-6-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidine-1-carbonyl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidine-1-carbonyl]pyridazin-3-one?
The canonical SMILES for 2-methyl-6-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidine-1-carbonyl]pyridazin-3-one is CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(=O)n(C)n1.
What is the InChIKey of 2-methyl-6-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidine-1-carbonyl]pyridazin-3-one?
The InChIKey is UVOPQZVBEGZCMS-WBVHZDCISA-N. The full InChI is InChI=1S/C19H23N3O2/c1-3-15(14-8-5-4-6-9-14)17-10-7-13-22(17)19(24)16-11-12-18(23)21(2)20-16/h4-6,8-9,11-12,15,17H,3,7,10,13H2,1-2H3/t15-,17+/m1/s1.
What are the key properties of 2-methyl-6-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidine-1-carbonyl]pyridazin-3-one?
2-methyl-6-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidine-1-carbonyl]pyridazin-3-one has a molecular weight of 325.41 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(2S)-2-[(1R)-1-phenylpropyl]pyrrolidine-1-carbonyl]pyridazin-3-one is sourced from PubChem (CID 95592322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).