N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C20H22F3N3O3 — CID 31645961

IUPACN-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCN(Cc1ccccc1N1CCOCC1)C(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C20H22F3N3O3/c1-24(12-15-4-2-3-5-17(15)25-8-10-29-11-9-25)19(28)14-26-13-16(20(21,22)23)6-7-18(26)27/h2-7,13H,8-12,14H2,1H3
InChIKeyUWGDDIDFJATZLS-UHFFFAOYSA-N
MW409.41 g/mol
LogP2.36
Rot. Bonds5

About N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 31645961) has the molecular formula C20H22F3N3O3 and a molecular weight of 409.41 g/mol. Its IUPAC name is N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID31645961
Molecular FormulaC20H22F3N3O3
Molecular Weight409.41 g/mol
Exact Mass409.16
IUPAC NameN-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCN(Cc1ccccc1N1CCOCC1)C(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C20H22F3N3O3/c1-24(12-15-4-2-3-5-17(15)25-8-10-29-11-9-25)19(28)14-26-13-16(20(21,22)23)6-7-18(26)27/h2-7,13H,8-12,14H2,1H3
InChIKeyUWGDDIDFJATZLS-UHFFFAOYSA-N
XLogP2.36
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 31645961) is N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is CN(Cc1ccccc1N1CCOCC1)C(=O)Cn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is UWGDDIDFJATZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O3/c1-24(12-15-4-2-3-5-17(15)25-8-10-29-11-9-25)19(28)14-26-13-16(20(21,22)23)6-7-18(26)27/h2-7,13H,8-12,14H2,1H3.
What are the key properties of N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 409.41 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 31645961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).