1-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]cyclohexane-1-carboxylic acid

C15H17F3N2O4 — CID 71942702

IUPAC1-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(Cn1cccc(C(F)(F)F)c1=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C15H17F3N2O4/c16-15(17,18)10-5-4-8-20(12(10)22)9-11(21)19-14(13(23)24)6-2-1-3-7-14/h4-5,8H,1-3,6-7,9H2,(H,19,21)(H,23,24)
InChIKeyJLCHOVYKSXPLKA-UHFFFAOYSA-N
MW346.31 g/mol
LogP1.77
Rot. Bonds4

About 1-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]cyclohexane-1-carboxylic acid

1-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 71942702) has the molecular formula C15H17F3N2O4 and a molecular weight of 346.31 g/mol. Its IUPAC name is 1-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID71942702
Molecular FormulaC15H17F3N2O4
Molecular Weight346.31 g/mol
Exact Mass346.11
IUPAC Name1-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(Cn1cccc(C(F)(F)F)c1=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C15H17F3N2O4/c16-15(17,18)10-5-4-8-20(12(10)22)9-11(21)19-14(13(23)24)6-2-1-3-7-14/h4-5,8H,1-3,6-7,9H2,(H,19,21)(H,23,24)
InChIKeyJLCHOVYKSXPLKA-UHFFFAOYSA-N
XLogP1.77
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]cyclohexane-1-carboxylic acid (CID 71942702) is 1-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]cyclohexane-1-carboxylic acid is O=C(Cn1cccc(C(F)(F)F)c1=O)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is JLCHOVYKSXPLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O4/c16-15(17,18)10-5-4-8-20(12(10)22)9-11(21)19-14(13(23)24)6-2-1-3-7-14/h4-5,8H,1-3,6-7,9H2,(H,19,21)(H,23,24).
What are the key properties of 1-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]cyclohexane-1-carboxylic acid?
1-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 346.31 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 71942702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).