(2S)-N-(3-methoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)propanamide

C20H19N3O3 — CID 28623082

IUPAC(2S)-N-(3-methoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)propanamide
SMILESCOc1cccc(NC(=O)[C@H](C)n2nc(-c3ccccc3)ccc2=O)c1
InChIInChI=1S/C20H19N3O3/c1-14(20(25)21-16-9-6-10-17(13-16)26-2)23-19(24)12-11-18(22-23)15-7-4-3-5-8-15/h3-14H,1-2H3,(H,21,25)/t14-/m0/s1
InChIKeyIRXBIHMEZKGLOI-AWEZNQCLSA-N
MW349.39 g/mol
LogP3.12
Rot. Bonds5

About (2S)-N-(3-methoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)propanamide

(2S)-N-(3-methoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)propanamide (PubChem CID 28623082) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is (2S)-N-(3-methoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(3-methoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)propanamide
PubChem CID28623082
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name(2S)-N-(3-methoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)propanamide
SMILESCOc1cccc(NC(=O)[C@H](C)n2nc(-c3ccccc3)ccc2=O)c1
InChIInChI=1S/C20H19N3O3/c1-14(20(25)21-16-9-6-10-17(13-16)26-2)23-19(24)12-11-18(22-23)15-7-4-3-5-8-15/h3-14H,1-2H3,(H,21,25)/t14-/m0/s1
InChIKeyIRXBIHMEZKGLOI-AWEZNQCLSA-N
XLogP3.12
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide
CID 142338864
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-methoxyphenyl)propanamide
CID 121075999
2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanoic acid
CID 139389914
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(3-methoxyphenyl)propanamide
CID 90517885
(2R)-N-(3,5-dimethoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 28623281
2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(4-phenoxyphenyl)propanamide
CID 121100942
(2S)-N-(5-chloro-2,4-dimethoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 28623367
N-[4-(1,1-difluoroethyl)-2-fluorophenyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide
CID 158133710
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(3-methoxyphenyl)propanamide
CID 679819
(2R)-N-(3-methoxyphenyl)-2-(1-oxophthalazin-2-yl)propanamide
CID 95118182
N-(3-methoxyphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7665039
N-[4-(1,1-difluoroethyl)phenyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-2-phenylacetamide
CID 158133714

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-methoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)propanamide?
The IUPAC name of (2S)-N-(3-methoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)propanamide (CID 28623082) is (2S)-N-(3-methoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)propanamide.
What is the SMILES notation for (2S)-N-(3-methoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)propanamide?
The canonical SMILES for (2S)-N-(3-methoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)propanamide is COc1cccc(NC(=O)[C@H](C)n2nc(-c3ccccc3)ccc2=O)c1.
What is the InChIKey of (2S)-N-(3-methoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)propanamide?
The InChIKey is IRXBIHMEZKGLOI-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-14(20(25)21-16-9-6-10-17(13-16)26-2)23-19(24)12-11-18(22-23)15-7-4-3-5-8-15/h3-14H,1-2H3,(H,21,25)/t14-/m0/s1.
What are the key properties of (2S)-N-(3-methoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)propanamide?
(2S)-N-(3-methoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)propanamide has a molecular weight of 349.39 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-methoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)propanamide is sourced from PubChem (CID 28623082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).