N-[(1-hydroxycyclobutyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

C13H15F3N2O3 — CID 111463210

IUPACN-[(1-hydroxycyclobutyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cccc(C(F)(F)F)c1=O)NCC1(O)CCC1
InChIInChI=1S/C13H15F3N2O3/c14-13(15,16)9-3-1-6-18(11(9)20)7-10(19)17-8-12(21)4-2-5-12/h1,3,6,21H,2,4-5,7-8H2,(H,17,19)
InChIKeyBKUGQZSDNABZEN-UHFFFAOYSA-N
MW304.27 g/mol
LogP0.90
Rot. Bonds4

About N-[(1-hydroxycyclobutyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

N-[(1-hydroxycyclobutyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 111463210) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is N-[(1-hydroxycyclobutyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclobutyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID111463210
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC NameN-[(1-hydroxycyclobutyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cccc(C(F)(F)F)c1=O)NCC1(O)CCC1
InChIInChI=1S/C13H15F3N2O3/c14-13(15,16)9-3-1-6-18(11(9)20)7-10(19)17-8-12(21)4-2-5-12/h1,3,6,21H,2,4-5,7-8H2,(H,17,19)
InChIKeyBKUGQZSDNABZEN-UHFFFAOYSA-N
XLogP0.90
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (CID 111463210) is N-[(1-hydroxycyclobutyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[(1-hydroxycyclobutyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[(1-hydroxycyclobutyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is O=C(Cn1cccc(C(F)(F)F)c1=O)NCC1(O)CCC1.
What is the InChIKey of N-[(1-hydroxycyclobutyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is BKUGQZSDNABZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O3/c14-13(15,16)9-3-1-6-18(11(9)20)7-10(19)17-8-12(21)4-2-5-12/h1,3,6,21H,2,4-5,7-8H2,(H,17,19).
What are the key properties of N-[(1-hydroxycyclobutyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[(1-hydroxycyclobutyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 304.27 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclobutyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 111463210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).