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

C14H17F3N2O3 — CID 111331375

IUPACN-[(1-hydroxycyclopentyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cccc(C(F)(F)F)c1=O)NCC1(O)CCCC1
InChIInChI=1S/C14H17F3N2O3/c15-14(16,17)10-4-3-7-19(12(10)21)8-11(20)18-9-13(22)5-1-2-6-13/h3-4,7,22H,1-2,5-6,8-9H2,(H,18,20)
InChIKeyCBVDQQPXZATSQU-UHFFFAOYSA-N
MW318.29 g/mol
LogP1.29
Rot. Bonds4

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

N-[(1-hydroxycyclopentyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 111331375) has the molecular formula C14H17F3N2O3 and a molecular weight of 318.29 g/mol. Its IUPAC name is N-[(1-hydroxycyclopentyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclopentyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID111331375
Molecular FormulaC14H17F3N2O3
Molecular Weight318.29 g/mol
Exact Mass318.12
IUPAC NameN-[(1-hydroxycyclopentyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cccc(C(F)(F)F)c1=O)NCC1(O)CCCC1
InChIInChI=1S/C14H17F3N2O3/c15-14(16,17)10-4-3-7-19(12(10)21)8-11(20)18-9-13(22)5-1-2-6-13/h3-4,7,22H,1-2,5-6,8-9H2,(H,18,20)
InChIKeyCBVDQQPXZATSQU-UHFFFAOYSA-N
XLogP1.29
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(hydroxymethyl)cyclopentyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 110008501
N-(3-ethyl-2-hydroxypentyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 111115798
N-[(1-hydroxycyclopentyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 111333062
N-(2-cyclopentyl-2-hydroxyethyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 111426111
N-[(1-hydroxycycloheptyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 111428663
N-[(1-hydroxycyclobutyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 111463210
N-[(1-hydroxycyclohexyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 111463222
N-(2-hydroxy-2,3-dimethylpentyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 111477976
N-(2-hydroxy-2,3-dimethylbutyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 111483847
N-(2-hydroxy-2,5-dimethylhexyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 111485235
N-(2-hydroxy-2,5-dimethylhexyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 111485316
N-[(1-hydroxycyclohexyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 111485652

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (CID 111331375) is N-[(1-hydroxycyclopentyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[(1-hydroxycyclopentyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[(1-hydroxycyclopentyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is O=C(Cn1cccc(C(F)(F)F)c1=O)NCC1(O)CCCC1.
What is the InChIKey of N-[(1-hydroxycyclopentyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is CBVDQQPXZATSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O3/c15-14(16,17)10-4-3-7-19(12(10)21)8-11(20)18-9-13(22)5-1-2-6-13/h3-4,7,22H,1-2,5-6,8-9H2,(H,18,20).
What are the key properties of N-[(1-hydroxycyclopentyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[(1-hydroxycyclopentyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 318.29 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclopentyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 111331375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).