3-[6-[4-[3-(3-chlorophenyl)propanoyl]morpholin-2-yl]-2-pyridinyl]benzamide

C25H24ClN3O3 — CID 132772804

IUPAC3-[6-[4-[3-(3-chlorophenyl)propanoyl]morpholin-2-yl]-2-pyridinyl]benzamide
SMILESNC(=O)c1cccc(-c2cccc(C3CN(C(=O)CCc4cccc(Cl)c4)CCO3)n2)c1
InChIInChI=1S/C25H24ClN3O3/c26-20-7-1-4-17(14-20)10-11-24(30)29-12-13-32-23(16-29)22-9-3-8-21(28-22)18-5-2-6-19(15-18)25(27)31/h1-9,14-15,23H,10-13,16H2,(H2,27,31)
InChIKeyJLVZTWHHQFORNI-UHFFFAOYSA-N
MW449.94 g/mol
LogP4.03
Rot. Bonds6

About 3-[6-[4-[3-(3-chlorophenyl)propanoyl]morpholin-2-yl]-2-pyridinyl]benzamide

3-[6-[4-[3-(3-chlorophenyl)propanoyl]morpholin-2-yl]-2-pyridinyl]benzamide (PubChem CID 132772804) has the molecular formula C25H24ClN3O3 and a molecular weight of 449.94 g/mol. Its IUPAC name is 3-[6-[4-[3-(3-chlorophenyl)propanoyl]morpholin-2-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-[6-[4-[3-(3-chlorophenyl)propanoyl]morpholin-2-yl]-2-pyridinyl]benzamide
PubChem CID132772804
Molecular FormulaC25H24ClN3O3
Molecular Weight449.94 g/mol
Exact Mass449.15
IUPAC Name3-[6-[4-[3-(3-chlorophenyl)propanoyl]morpholin-2-yl]-2-pyridinyl]benzamide
SMILESNC(=O)c1cccc(-c2cccc(C3CN(C(=O)CCc4cccc(Cl)c4)CCO3)n2)c1
InChIInChI=1S/C25H24ClN3O3/c26-20-7-1-4-17(14-20)10-11-24(30)29-12-13-32-23(16-29)22-9-3-8-21(28-22)18-5-2-6-19(15-18)25(27)31/h1-9,14-15,23H,10-13,16H2,(H2,27,31)
InChIKeyJLVZTWHHQFORNI-UHFFFAOYSA-N
XLogP4.03
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.94
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[6-[(2S)-4-(3-phenylpropanoyl)morpholin-2-yl]-2-pyridinyl]benzamide
CID 125014118
1-[2-[5-(3-chlorophenyl)-2-pyridinyl]morpholin-4-yl]-3-phenylpropan-1-one
CID 127252242
1-[(2R)-2-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]morpholin-4-yl]-3-(3-chlorophenyl)propan-1-one
CID 124986015
3-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(2R)-2-[6-(3-fluorophenyl)-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 124989667
3-[6-[(2S)-4-[2-methyl-2-(4-methylphenyl)propanoyl]morpholin-2-yl]-2-pyridinyl]benzamide
CID 124950685
3-[6-[(2R)-4-[2-methyl-2-(4-methylphenyl)propanoyl]morpholin-2-yl]-2-pyridinyl]benzamide
CID 124950686
3-[6-[(2R)-4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-2-pyridinyl]benzamide
CID 124956411
[(2R)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-phenylmethanone
CID 124976913
3-[6-[4-[3-(4-methylpiperidin-1-yl)propanoyl]morpholin-2-yl]-3-pyridinyl]benzamide
CID 127250335
1-[(2S)-2-[6-(3-fluorophenyl)-2-pyridinyl]morpholin-4-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one
CID 124992756
3-(3-chlorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 111561954
3-[6-[(2R)-4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide
CID 124978150

Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-[3-(3-chlorophenyl)propanoyl]morpholin-2-yl]-2-pyridinyl]benzamide?
The IUPAC name of 3-[6-[4-[3-(3-chlorophenyl)propanoyl]morpholin-2-yl]-2-pyridinyl]benzamide (CID 132772804) is 3-[6-[4-[3-(3-chlorophenyl)propanoyl]morpholin-2-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for 3-[6-[4-[3-(3-chlorophenyl)propanoyl]morpholin-2-yl]-2-pyridinyl]benzamide?
The canonical SMILES for 3-[6-[4-[3-(3-chlorophenyl)propanoyl]morpholin-2-yl]-2-pyridinyl]benzamide is NC(=O)c1cccc(-c2cccc(C3CN(C(=O)CCc4cccc(Cl)c4)CCO3)n2)c1.
What is the InChIKey of 3-[6-[4-[3-(3-chlorophenyl)propanoyl]morpholin-2-yl]-2-pyridinyl]benzamide?
The InChIKey is JLVZTWHHQFORNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O3/c26-20-7-1-4-17(14-20)10-11-24(30)29-12-13-32-23(16-29)22-9-3-8-21(28-22)18-5-2-6-19(15-18)25(27)31/h1-9,14-15,23H,10-13,16H2,(H2,27,31).
What are the key properties of 3-[6-[4-[3-(3-chlorophenyl)propanoyl]morpholin-2-yl]-2-pyridinyl]benzamide?
3-[6-[4-[3-(3-chlorophenyl)propanoyl]morpholin-2-yl]-2-pyridinyl]benzamide has a molecular weight of 449.94 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[4-[3-(3-chlorophenyl)propanoyl]morpholin-2-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 132772804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).