N-[(2R)-butan-2-yl]-4-[6-(3-methoxyphenoxy)pyridazin-3-yl]benzamide

C22H23N3O3 — CID 92882452

IUPACN-[(2R)-butan-2-yl]-4-[6-(3-methoxyphenoxy)pyridazin-3-yl]benzamide
SMILESCC[C@@H](C)NC(=O)c1ccc(-c2ccc(Oc3cccc(OC)c3)nn2)cc1
InChIInChI=1S/C22H23N3O3/c1-4-15(2)23-22(26)17-10-8-16(9-11-17)20-12-13-21(25-24-20)28-19-7-5-6-18(14-19)27-3/h5-15H,4H2,1-3H3,(H,23,26)/t15-/m1/s1
InChIKeyBUQFDVHEFUAOIN-OAHLLOKOSA-N
MW377.44 g/mol
LogP4.47
Rot. Bonds7

About N-[(2R)-butan-2-yl]-4-[6-(3-methoxyphenoxy)pyridazin-3-yl]benzamide

N-[(2R)-butan-2-yl]-4-[6-(3-methoxyphenoxy)pyridazin-3-yl]benzamide (PubChem CID 92882452) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-4-[6-(3-methoxyphenoxy)pyridazin-3-yl]benzamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-4-[6-(3-methoxyphenoxy)pyridazin-3-yl]benzamide
PubChem CID92882452
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-[(2R)-butan-2-yl]-4-[6-(3-methoxyphenoxy)pyridazin-3-yl]benzamide
SMILESCC[C@@H](C)NC(=O)c1ccc(-c2ccc(Oc3cccc(OC)c3)nn2)cc1
InChIInChI=1S/C22H23N3O3/c1-4-15(2)23-22(26)17-10-8-16(9-11-17)20-12-13-21(25-24-20)28-19-7-5-6-18(14-19)27-3/h5-15H,4H2,1-3H3,(H,23,26)/t15-/m1/s1
InChIKeyBUQFDVHEFUAOIN-OAHLLOKOSA-N
XLogP4.47
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[6-(3-methoxyphenoxy)pyridazin-3-yl]-N-(3-methylbutyl)benzamide
CID 46387077
N-(1,3-benzodioxol-5-ylmethyl)-4-[6-(3-methoxyphenoxy)pyridazin-3-yl]benzamide
CID 46386955
N-[(2R)-butan-2-yl]-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide
CID 95053242
N-butan-2-yl-3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide
CID 53021179
4-N-butan-2-yl-1-N-(2,4-dimethoxyphenyl)benzene-1,4-dicarboxamide
CID 109044149
4-[6-(benzylamino)pyridazin-3-yl]-N-butan-2-ylbenzamide
CID 53098814
N-[(2R)-butan-2-yl]-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 92883133
N-[(2S)-butan-2-yl]-3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 92882421
N-butan-2-yl-2-(6-methoxypyridazin-3-yl)benzamide
CID 134802763
N-[2-(cyclohexen-1-yl)ethyl]-3-[6-(3-methoxyphenoxy)pyridazin-3-yl]benzamide
CID 46387080
N-[(2S)-butan-2-yl]-4-(2,5-dimethoxybenzoyl)benzamide
CID 1362819
N-butan-2-yl-2-[(3-methoxybenzoyl)amino]benzamide
CID 17417921

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-4-[6-(3-methoxyphenoxy)pyridazin-3-yl]benzamide?
The IUPAC name of N-[(2R)-butan-2-yl]-4-[6-(3-methoxyphenoxy)pyridazin-3-yl]benzamide (CID 92882452) is N-[(2R)-butan-2-yl]-4-[6-(3-methoxyphenoxy)pyridazin-3-yl]benzamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-4-[6-(3-methoxyphenoxy)pyridazin-3-yl]benzamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-4-[6-(3-methoxyphenoxy)pyridazin-3-yl]benzamide is CC[C@@H](C)NC(=O)c1ccc(-c2ccc(Oc3cccc(OC)c3)nn2)cc1.
What is the InChIKey of N-[(2R)-butan-2-yl]-4-[6-(3-methoxyphenoxy)pyridazin-3-yl]benzamide?
The InChIKey is BUQFDVHEFUAOIN-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-4-15(2)23-22(26)17-10-8-16(9-11-17)20-12-13-21(25-24-20)28-19-7-5-6-18(14-19)27-3/h5-15H,4H2,1-3H3,(H,23,26)/t15-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-4-[6-(3-methoxyphenoxy)pyridazin-3-yl]benzamide?
N-[(2R)-butan-2-yl]-4-[6-(3-methoxyphenoxy)pyridazin-3-yl]benzamide has a molecular weight of 377.44 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-4-[6-(3-methoxyphenoxy)pyridazin-3-yl]benzamide is sourced from PubChem (CID 92882452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).