2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide

C19H25ClF3N3O3 — CID 16564739

IUPAC2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C19H25ClF3N3O3/c20-15-10-14(19(21,22)23)11-25(17(15)28)12-16(27)24-13-18(4-2-1-3-5-18)26-6-8-29-9-7-26/h10-11H,1-9,12-13H2,(H,24,27)
InChIKeyIEYICBVRRVOFHF-UHFFFAOYSA-N
MW435.87 g/mol
LogP2.67
Rot. Bonds5

About 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide (PubChem CID 16564739) has the molecular formula C19H25ClF3N3O3 and a molecular weight of 435.87 g/mol. Its IUPAC name is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
PubChem CID16564739
Molecular FormulaC19H25ClF3N3O3
Molecular Weight435.87 g/mol
Exact Mass435.15
IUPAC Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C19H25ClF3N3O3/c20-15-10-14(19(21,22)23)11-25(17(15)28)12-16(27)24-13-18(4-2-1-3-5-18)26-6-8-29-9-7-26/h10-11H,1-9,12-13H2,(H,24,27)
InChIKeyIEYICBVRRVOFHF-UHFFFAOYSA-N
XLogP2.67
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.87
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[3-Chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-1,4-diazaspiro[5.5]undecane-3,5-dione
CID 17458213
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(cyclohexylmethyl)acetamide
CID 2587520
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 25624971
N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 2454277
N-[(1-morpholin-4-ylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 2454278

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
The IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide (CID 16564739) is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
The canonical SMILES for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide is O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NCC1(N2CCOCC2)CCCCC1.
What is the InChIKey of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
The InChIKey is IEYICBVRRVOFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClF3N3O3/c20-15-10-14(19(21,22)23)11-25(17(15)28)12-16(27)24-13-18(4-2-1-3-5-18)26-6-8-29-9-7-26/h10-11H,1-9,12-13H2,(H,24,27).
What are the key properties of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide has a molecular weight of 435.87 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 16564739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).