2-[5-[2-(3-methoxyazetidin-1-yl)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanamide;molecular hydrogen

C18H28F3N3O3 — CID 156728758

IUPAC2-[5-[2-(3-methoxyazetidin-1-yl)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanamide;molecular hydrogen
SMILESCOC1CN(CCc2cn(C(CC(C)C)C(N)=O)c(=O)cc2C(F)(F)F)C1.[H][H]
InChIInChI=1S/C18H26F3N3O3.H2/c1-11(2)6-15(17(22)26)24-8-12(4-5-23-9-13(10-23)27-3)14(7-16(24)25)18(19,20)21;/h7-8,11,13,15H,4-6,9-10H2,1-3H3,(H2,22,26);1H
InChIKeyNYFFUUVZNULXNC-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.06
Rot. Bonds8

About 2-[5-[2-(3-methoxyazetidin-1-yl)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanamide;molecular hydrogen

2-[5-[2-(3-methoxyazetidin-1-yl)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanamide;molecular hydrogen (PubChem CID 156728758) has the molecular formula C18H28F3N3O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 2-[5-[2-(3-methoxyazetidin-1-yl)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanamide;molecular hydrogen.

Molecular Properties

Compound Name2-[5-[2-(3-methoxyazetidin-1-yl)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanamide;molecular hydrogen
PubChem CID156728758
Molecular FormulaC18H28F3N3O3
Molecular Weight391.43 g/mol
Exact Mass391.21
IUPAC Name2-[5-[2-(3-methoxyazetidin-1-yl)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanamide;molecular hydrogen
SMILESCOC1CN(CCc2cn(C(CC(C)C)C(N)=O)c(=O)cc2C(F)(F)F)C1.[H][H]
InChIInChI=1S/C18H26F3N3O3.H2/c1-11(2)6-15(17(22)26)24-8-12(4-5-23-9-13(10-23)27-3)14(7-16(24)25)18(19,20)21;/h7-8,11,13,15H,4-6,9-10H2,1-3H3,(H2,22,26);1H
InChIKeyNYFFUUVZNULXNC-UHFFFAOYSA-N
XLogP2.06
TPSA77.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(3-methoxyazetidin-1-yl)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanamide;molecular hydrogen?
The IUPAC name of 2-[5-[2-(3-methoxyazetidin-1-yl)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanamide;molecular hydrogen (CID 156728758) is 2-[5-[2-(3-methoxyazetidin-1-yl)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanamide;molecular hydrogen.
What is the SMILES notation for 2-[5-[2-(3-methoxyazetidin-1-yl)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanamide;molecular hydrogen?
The canonical SMILES for 2-[5-[2-(3-methoxyazetidin-1-yl)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanamide;molecular hydrogen is COC1CN(CCc2cn(C(CC(C)C)C(N)=O)c(=O)cc2C(F)(F)F)C1.[H][H].
What is the InChIKey of 2-[5-[2-(3-methoxyazetidin-1-yl)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanamide;molecular hydrogen?
The InChIKey is NYFFUUVZNULXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3N3O3.H2/c1-11(2)6-15(17(22)26)24-8-12(4-5-23-9-13(10-23)27-3)14(7-16(24)25)18(19,20)21;/h7-8,11,13,15H,4-6,9-10H2,1-3H3,(H2,22,26);1H.
What are the key properties of 2-[5-[2-(3-methoxyazetidin-1-yl)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanamide;molecular hydrogen?
2-[5-[2-(3-methoxyazetidin-1-yl)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanamide;molecular hydrogen has a molecular weight of 391.43 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(3-methoxyazetidin-1-yl)ethyl]-2-oxo-4-(trifluoromethyl)-1-pyridinyl]-4-methylpentanamide;molecular hydrogen is sourced from PubChem (CID 156728758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).