6-[3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]-2-methylpyridazin-3-one

C18H21N3O3 — CID 122562031

IUPAC6-[3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]-2-methylpyridazin-3-one
SMILESCOC[C@@H]1CCCN1C(=O)c1cccc(-c2ccc(=O)n(C)n2)c1
InChIInChI=1S/C18H21N3O3/c1-20-17(22)9-8-16(19-20)13-5-3-6-14(11-13)18(23)21-10-4-7-15(21)12-24-2/h3,5-6,8-9,11,15H,4,7,10,12H2,1-2H3/t15-/m0/s1
InChIKeyVXCNZRXGMBWPPN-HNNXBMFYSA-N
MW327.38 g/mol
LogP1.70
Rot. Bonds4

About 6-[3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]-2-methylpyridazin-3-one

6-[3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]-2-methylpyridazin-3-one (PubChem CID 122562031) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 6-[3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]-2-methylpyridazin-3-one
PubChem CID122562031
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name6-[3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]-2-methylpyridazin-3-one
SMILESCOC[C@@H]1CCCN1C(=O)c1cccc(-c2ccc(=O)n(C)n2)c1
InChIInChI=1S/C18H21N3O3/c1-20-17(22)9-8-16(19-20)13-5-3-6-14(11-13)18(23)21-10-4-7-15(21)12-24-2/h3,5-6,8-9,11,15H,4,7,10,12H2,1-2H3/t15-/m0/s1
InChIKeyVXCNZRXGMBWPPN-HNNXBMFYSA-N
XLogP1.70
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]-2-methylpyridazin-3-one?
The IUPAC name of 6-[3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]-2-methylpyridazin-3-one (CID 122562031) is 6-[3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]-2-methylpyridazin-3-one is COC[C@@H]1CCCN1C(=O)c1cccc(-c2ccc(=O)n(C)n2)c1.
What is the InChIKey of 6-[3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]-2-methylpyridazin-3-one?
The InChIKey is VXCNZRXGMBWPPN-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-20-17(22)9-8-16(19-20)13-5-3-6-14(11-13)18(23)21-10-4-7-15(21)12-24-2/h3,5-6,8-9,11,15H,4,7,10,12H2,1-2H3/t15-/m0/s1.
What are the key properties of 6-[3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]-2-methylpyridazin-3-one?
6-[3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]-2-methylpyridazin-3-one has a molecular weight of 327.38 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]-2-methylpyridazin-3-one is sourced from PubChem (CID 122562031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).