2-(2-methoxyethyl)-6-[(2S)-2-(3-methylphenyl)pyrrolidine-1-carbonyl]pyridazin-3-one

C19H23N3O3 — CID 95579844

IUPAC2-(2-methoxyethyl)-6-[(2S)-2-(3-methylphenyl)pyrrolidine-1-carbonyl]pyridazin-3-one
SMILESCOCCn1nc(C(=O)N2CCC[C@H]2c2cccc(C)c2)ccc1=O
InChIInChI=1S/C19H23N3O3/c1-14-5-3-6-15(13-14)17-7-4-10-21(17)19(24)16-8-9-18(23)22(20-16)11-12-25-2/h3,5-6,8-9,13,17H,4,7,10-12H2,1-2H3/t17-/m0/s1
InChIKeyHORURGDXZAHIJY-KRWDZBQOSA-N
MW341.41 g/mol
LogP2.18
Rot. Bonds5

About 2-(2-methoxyethyl)-6-[(2S)-2-(3-methylphenyl)pyrrolidine-1-carbonyl]pyridazin-3-one

2-(2-methoxyethyl)-6-[(2S)-2-(3-methylphenyl)pyrrolidine-1-carbonyl]pyridazin-3-one (PubChem CID 95579844) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-6-[(2S)-2-(3-methylphenyl)pyrrolidine-1-carbonyl]pyridazin-3-one.

Molecular Properties

Compound Name2-(2-methoxyethyl)-6-[(2S)-2-(3-methylphenyl)pyrrolidine-1-carbonyl]pyridazin-3-one
PubChem CID95579844
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name2-(2-methoxyethyl)-6-[(2S)-2-(3-methylphenyl)pyrrolidine-1-carbonyl]pyridazin-3-one
SMILESCOCCn1nc(C(=O)N2CCC[C@H]2c2cccc(C)c2)ccc1=O
InChIInChI=1S/C19H23N3O3/c1-14-5-3-6-15(13-14)17-7-4-10-21(17)19(24)16-8-9-18(23)22(20-16)11-12-25-2/h3,5-6,8-9,13,17H,4,7,10-12H2,1-2H3/t17-/m0/s1
InChIKeyHORURGDXZAHIJY-KRWDZBQOSA-N
XLogP2.18
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyethyl)-6-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]pyridazin-3-one
CID 46536603
6-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]-2-(2-methoxyethyl)pyridazin-3-one
CID 30035791
2-(2-methoxyethyl)-6-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyridazin-3-one
CID 56807823
1-(2-methoxyethyl)-5-[(2S)-2-(3-methylphenyl)pyrrolidine-1-carbonyl]pyridin-2-one
CID 94635762
2-butyl-6-[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]pyridazin-3-one
CID 56816863
2-(2-methoxyethyl)-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one
CID 47020029
2-(2-methoxyethyl)-6-[(3S)-3-methylpiperidine-1-carbonyl]pyridazin-3-one
CID 94179531
(2,6-dimethoxyphenyl)-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone
CID 50747261
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-[(2S)-2-(3-methylphenyl)pyrrolidin-1-yl]methanone
CID 51856197
2-amino-3-methoxy-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 120986995
(2-methoxyphenyl)-[(2R)-2-(3-methylphenyl)pyrrolidin-1-yl]methanone
CID 95053415
6-(3,4-dihydroxypyrrolidine-1-carbonyl)-2-(2-methoxyethyl)pyridazin-3-one
CID 106672046

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-6-[(2S)-2-(3-methylphenyl)pyrrolidine-1-carbonyl]pyridazin-3-one?
The IUPAC name of 2-(2-methoxyethyl)-6-[(2S)-2-(3-methylphenyl)pyrrolidine-1-carbonyl]pyridazin-3-one (CID 95579844) is 2-(2-methoxyethyl)-6-[(2S)-2-(3-methylphenyl)pyrrolidine-1-carbonyl]pyridazin-3-one.
What is the SMILES notation for 2-(2-methoxyethyl)-6-[(2S)-2-(3-methylphenyl)pyrrolidine-1-carbonyl]pyridazin-3-one?
The canonical SMILES for 2-(2-methoxyethyl)-6-[(2S)-2-(3-methylphenyl)pyrrolidine-1-carbonyl]pyridazin-3-one is COCCn1nc(C(=O)N2CCC[C@H]2c2cccc(C)c2)ccc1=O.
What is the InChIKey of 2-(2-methoxyethyl)-6-[(2S)-2-(3-methylphenyl)pyrrolidine-1-carbonyl]pyridazin-3-one?
The InChIKey is HORURGDXZAHIJY-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-14-5-3-6-15(13-14)17-7-4-10-21(17)19(24)16-8-9-18(23)22(20-16)11-12-25-2/h3,5-6,8-9,13,17H,4,7,10-12H2,1-2H3/t17-/m0/s1.
What are the key properties of 2-(2-methoxyethyl)-6-[(2S)-2-(3-methylphenyl)pyrrolidine-1-carbonyl]pyridazin-3-one?
2-(2-methoxyethyl)-6-[(2S)-2-(3-methylphenyl)pyrrolidine-1-carbonyl]pyridazin-3-one has a molecular weight of 341.41 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-6-[(2S)-2-(3-methylphenyl)pyrrolidine-1-carbonyl]pyridazin-3-one is sourced from PubChem (CID 95579844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).