4-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]carbamoyl]cyclohexane-1-carboxylic acid

C14H15F3N2O4 — CID 120672254

IUPAC4-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)CC1
InChIInChI=1S/C14H15F3N2O4/c15-14(16,17)9-5-10(12(21)18-6-9)19-11(20)7-1-3-8(4-2-7)13(22)23/h5-8H,1-4H2,(H,18,21)(H,19,20)(H,22,23)
InChIKeyCSWZERPKWIMGDQ-UHFFFAOYSA-N
MW332.28 g/mol
LogP2.22
Rot. Bonds3

About 4-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]carbamoyl]cyclohexane-1-carboxylic acid

4-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120672254) has the molecular formula C14H15F3N2O4 and a molecular weight of 332.28 g/mol. Its IUPAC name is 4-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120672254
Molecular FormulaC14H15F3N2O4
Molecular Weight332.28 g/mol
Exact Mass332.10
IUPAC Name4-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)CC1
InChIInChI=1S/C14H15F3N2O4/c15-14(16,17)9-5-10(12(21)18-6-9)19-11(20)7-1-3-8(4-2-7)13(22)23/h5-8H,1-4H2,(H,18,21)(H,19,20)(H,22,23)
InChIKeyCSWZERPKWIMGDQ-UHFFFAOYSA-N
XLogP2.22
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]carbamoyl]cyclohexane-1-carboxylic acid (CID 120672254) is 4-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]carbamoyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)CC1.
What is the InChIKey of 4-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is CSWZERPKWIMGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O4/c15-14(16,17)9-5-10(12(21)18-6-9)19-11(20)7-1-3-8(4-2-7)13(22)23/h5-8H,1-4H2,(H,18,21)(H,19,20)(H,22,23).
What are the key properties of 4-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]carbamoyl]cyclohexane-1-carboxylic acid?
4-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 332.28 g/mol, XLogP of 2.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120672254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).