N-[2-(2-methylpropanoyl)-5-[3-(2,2,2-trifluoroethyl)phenyl]-3-pyridinyl]-2-morpholin-4-ylacetamide

C23H26F3N3O3 — CID 176581624

IUPACN-[2-(2-methylpropanoyl)-5-[3-(2,2,2-trifluoroethyl)phenyl]-3-pyridinyl]-2-morpholin-4-ylacetamide
SMILESCC(C)C(=O)c1ncc(-c2cccc(CC(F)(F)F)c2)cc1NC(=O)CN1CCOCC1
InChIInChI=1S/C23H26F3N3O3/c1-15(2)22(31)21-19(28-20(30)14-29-6-8-32-9-7-29)11-18(13-27-21)17-5-3-4-16(10-17)12-23(24,25)26/h3-5,10-11,13,15H,6-9,12,14H2,1-2H3,(H,28,30)
InChIKeyOKERGOQLIPCQQR-UHFFFAOYSA-N
MW449.47 g/mol
LogP3.96
Rot. Bonds7

About N-[2-(2-methylpropanoyl)-5-[3-(2,2,2-trifluoroethyl)phenyl]-3-pyridinyl]-2-morpholin-4-ylacetamide

N-[2-(2-methylpropanoyl)-5-[3-(2,2,2-trifluoroethyl)phenyl]-3-pyridinyl]-2-morpholin-4-ylacetamide (PubChem CID 176581624) has the molecular formula C23H26F3N3O3 and a molecular weight of 449.47 g/mol. Its IUPAC name is N-[2-(2-methylpropanoyl)-5-[3-(2,2,2-trifluoroethyl)phenyl]-3-pyridinyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[2-(2-methylpropanoyl)-5-[3-(2,2,2-trifluoroethyl)phenyl]-3-pyridinyl]-2-morpholin-4-ylacetamide
PubChem CID176581624
Molecular FormulaC23H26F3N3O3
Molecular Weight449.47 g/mol
Exact Mass449.19
IUPAC NameN-[2-(2-methylpropanoyl)-5-[3-(2,2,2-trifluoroethyl)phenyl]-3-pyridinyl]-2-morpholin-4-ylacetamide
SMILESCC(C)C(=O)c1ncc(-c2cccc(CC(F)(F)F)c2)cc1NC(=O)CN1CCOCC1
InChIInChI=1S/C23H26F3N3O3/c1-15(2)22(31)21-19(28-20(30)14-29-6-8-32-9-7-29)11-18(13-27-21)17-5-3-4-16(10-17)12-23(24,25)26/h3-5,10-11,13,15H,6-9,12,14H2,1-2H3,(H,28,30)
InChIKeyOKERGOQLIPCQQR-UHFFFAOYSA-N
XLogP3.96
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.47
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(2,2-difluoroethyl)phenyl]-3-[(2-morpholin-4-ylacetyl)amino]pyridine-2-carboxylic acid
CID 177118895
N-[2-acetyl-5-(3-ethylphenyl)-3-pyridinyl]-2-morpholin-4-ylacetamide;ethane
CID 176577668
N-[5-(3-ethylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]-2-[(1-methylimidazol-4-yl)methylamino]acetamide
CID 176577437
1-[3-[(3-ethyloxetan-3-yl)amino]-5-(3-ethylphenyl)-2-pyridinyl]-2-methylpropan-1-one
CID 176578205
N-[5-(3-ethylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]-2-[(1-methyl-2-oxabicyclo[3.1.1]hept-4-en-4-yl)methylamino]acetamide;molecular hydrogen
CID 176581326
2-[3-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-5-carboxamide
CID 142796000
N-[2-(2-methylpropanoyl)-5-morpholin-4-yl-3-pyridinyl]acetamide
CID 176577494
2-(3-fluorophenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide
CID 51327223
N-(2-benzylsulfanylphenyl)-2-morpholin-4-ylacetamide
CID 9033759
N-(2,3-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 755358
N-(2-methylphenyl)-2-morpholin-4-ylacetamide
CID 744983
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-morpholin-4-ylacetamide
CID 2534176

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropanoyl)-5-[3-(2,2,2-trifluoroethyl)phenyl]-3-pyridinyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[2-(2-methylpropanoyl)-5-[3-(2,2,2-trifluoroethyl)phenyl]-3-pyridinyl]-2-morpholin-4-ylacetamide (CID 176581624) is N-[2-(2-methylpropanoyl)-5-[3-(2,2,2-trifluoroethyl)phenyl]-3-pyridinyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[2-(2-methylpropanoyl)-5-[3-(2,2,2-trifluoroethyl)phenyl]-3-pyridinyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[2-(2-methylpropanoyl)-5-[3-(2,2,2-trifluoroethyl)phenyl]-3-pyridinyl]-2-morpholin-4-ylacetamide is CC(C)C(=O)c1ncc(-c2cccc(CC(F)(F)F)c2)cc1NC(=O)CN1CCOCC1.
What is the InChIKey of N-[2-(2-methylpropanoyl)-5-[3-(2,2,2-trifluoroethyl)phenyl]-3-pyridinyl]-2-morpholin-4-ylacetamide?
The InChIKey is OKERGOQLIPCQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N3O3/c1-15(2)22(31)21-19(28-20(30)14-29-6-8-32-9-7-29)11-18(13-27-21)17-5-3-4-16(10-17)12-23(24,25)26/h3-5,10-11,13,15H,6-9,12,14H2,1-2H3,(H,28,30).
What are the key properties of N-[2-(2-methylpropanoyl)-5-[3-(2,2,2-trifluoroethyl)phenyl]-3-pyridinyl]-2-morpholin-4-ylacetamide?
N-[2-(2-methylpropanoyl)-5-[3-(2,2,2-trifluoroethyl)phenyl]-3-pyridinyl]-2-morpholin-4-ylacetamide has a molecular weight of 449.47 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropanoyl)-5-[3-(2,2,2-trifluoroethyl)phenyl]-3-pyridinyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 176581624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).