(2R)-N-(3,5-dimethoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)butanamide

C22H23N3O4 — CID 28623281

IUPAC(2R)-N-(3,5-dimethoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)butanamide
SMILESCC[C@H](C(=O)Nc1cc(OC)cc(OC)c1)n1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C22H23N3O4/c1-4-20(22(27)23-16-12-17(28-2)14-18(13-16)29-3)25-21(26)11-10-19(24-25)15-8-6-5-7-9-15/h5-14,20H,4H2,1-3H3,(H,23,27)/t20-/m1/s1
InChIKeyJVTBDCASTMKUCF-HXUWFJFHSA-N
MW393.44 g/mol
LogP3.52
Rot. Bonds7

About (2R)-N-(3,5-dimethoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)butanamide

(2R)-N-(3,5-dimethoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)butanamide (PubChem CID 28623281) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is (2R)-N-(3,5-dimethoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)butanamide.

Molecular Properties

Compound Name(2R)-N-(3,5-dimethoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)butanamide
PubChem CID28623281
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name(2R)-N-(3,5-dimethoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)butanamide
SMILESCC[C@H](C(=O)Nc1cc(OC)cc(OC)c1)n1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C22H23N3O4/c1-4-20(22(27)23-16-12-17(28-2)14-18(13-16)29-3)25-21(26)11-10-19(24-25)15-8-6-5-7-9-15/h5-14,20H,4H2,1-3H3,(H,23,27)/t20-/m1/s1
InChIKeyJVTBDCASTMKUCF-HXUWFJFHSA-N
XLogP3.52
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 25249749
(2R)-N-(2,4-dimethoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 28623427
N-(3-chlorophenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 5064719
(2S)-N-(3-methoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 28623082
methyl 4-[2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanoylamino]benzoate
CID 43883154
(2R)-2-[5-(2-methylpropanoylamino)-6-oxo-3-phenylpyridazin-1-yl]-N-phenylbutanamide
CID 95054506
N-(3,5-dimethoxyphenyl)-2-phenylbutanamide
CID 2924276
ethyl (2S)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanoate
CID 7660049
(2R)-N-(5-chloro-2-methoxyphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 40640795
(2S)-N-(2,4-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 92735342
2-(6-oxo-3-phenylpyridazin-1-yl)butanedioic acid
CID 77106165
N-(2,5-difluorophenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 43883157

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3,5-dimethoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)butanamide?
The IUPAC name of (2R)-N-(3,5-dimethoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)butanamide (CID 28623281) is (2R)-N-(3,5-dimethoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)butanamide.
What is the SMILES notation for (2R)-N-(3,5-dimethoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)butanamide?
The canonical SMILES for (2R)-N-(3,5-dimethoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)butanamide is CC[C@H](C(=O)Nc1cc(OC)cc(OC)c1)n1nc(-c2ccccc2)ccc1=O.
What is the InChIKey of (2R)-N-(3,5-dimethoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)butanamide?
The InChIKey is JVTBDCASTMKUCF-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-4-20(22(27)23-16-12-17(28-2)14-18(13-16)29-3)25-21(26)11-10-19(24-25)15-8-6-5-7-9-15/h5-14,20H,4H2,1-3H3,(H,23,27)/t20-/m1/s1.
What are the key properties of (2R)-N-(3,5-dimethoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)butanamide?
(2R)-N-(3,5-dimethoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)butanamide has a molecular weight of 393.44 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3,5-dimethoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)butanamide is sourced from PubChem (CID 28623281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).