4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide

C25H30N4O2 — CID 55635677

IUPAC4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide
SMILESCc1cc(C)n(-c2ccccc2NC(=O)c2ccc(CN3CC(C)OC(C)C3)cc2)n1
InChIInChI=1S/C25H30N4O2/c1-17-13-18(2)29(27-17)24-8-6-5-7-23(24)26-25(30)22-11-9-21(10-12-22)16-28-14-19(3)31-20(4)15-28/h5-13,19-20H,14-16H2,1-4H3,(H,26,30)
InChIKeyRAGPIDKGTIFGQL-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.35
Rot. Bonds5

About 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide

4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide (PubChem CID 55635677) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide
PubChem CID55635677
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide
SMILESCc1cc(C)n(-c2ccccc2NC(=O)c2ccc(CN3CC(C)OC(C)C3)cc2)n1
InChIInChI=1S/C25H30N4O2/c1-17-13-18(2)29(27-17)24-8-6-5-7-23(24)26-25(30)22-11-9-21(10-12-22)16-28-14-19(3)31-20(4)15-28/h5-13,19-20H,14-16H2,1-4H3,(H,26,30)
InChIKeyRAGPIDKGTIFGQL-UHFFFAOYSA-N
XLogP4.35
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-ethylbenzamide
CID 38760630
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 43074055
N-(5-amino-2-methylphenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride
CID 120568831
N-(2,5-dibromophenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 55625307
N-(6-amino-1,3-benzodioxol-5-yl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride
CID 119618458
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 43073960
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]benzamide
CID 36666249
N-(3-bromophenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 55623885
N-(2-aminophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 58930508
N-(6-amino-3-pyridinyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 119515670
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 37093234
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]benzamide
CID 46404460

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide?
The IUPAC name of 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide (CID 55635677) is 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide?
The canonical SMILES for 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide is Cc1cc(C)n(-c2ccccc2NC(=O)c2ccc(CN3CC(C)OC(C)C3)cc2)n1.
What is the InChIKey of 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide?
The InChIKey is RAGPIDKGTIFGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-17-13-18(2)29(27-17)24-8-6-5-7-23(24)26-25(30)22-11-9-21(10-12-22)16-28-14-19(3)31-20(4)15-28/h5-13,19-20H,14-16H2,1-4H3,(H,26,30).
What are the key properties of 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide?
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide has a molecular weight of 418.54 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 55635677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).