5-[(1-cyclohexyl-2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid

C15H17F3N2O3 — CID 146137041

IUPAC5-[(1-cyclohexyl-2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(C(=O)NC(C2CCCCC2)C(F)(F)F)c1
InChIInChI=1S/C15H17F3N2O3/c16-15(17,18)12(9-4-2-1-3-5-9)20-13(21)10-6-11(14(22)23)8-19-7-10/h6-9,12H,1-5H2,(H,20,21)(H,22,23)
InChIKeyNVZJDIXPJSOHAD-UHFFFAOYSA-N
MW330.31 g/mol
LogP3.02
Rot. Bonds4

About 5-[(1-cyclohexyl-2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid

5-[(1-cyclohexyl-2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 146137041) has the molecular formula C15H17F3N2O3 and a molecular weight of 330.31 g/mol. Its IUPAC name is 5-[(1-cyclohexyl-2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(1-cyclohexyl-2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID146137041
Molecular FormulaC15H17F3N2O3
Molecular Weight330.31 g/mol
Exact Mass330.12
IUPAC Name5-[(1-cyclohexyl-2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(C(=O)NC(C2CCCCC2)C(F)(F)F)c1
InChIInChI=1S/C15H17F3N2O3/c16-15(17,18)12(9-4-2-1-3-5-9)20-13(21)10-6-11(14(22)23)8-19-7-10/h6-9,12H,1-5H2,(H,20,21)(H,22,23)
InChIKeyNVZJDIXPJSOHAD-UHFFFAOYSA-N
XLogP3.02
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(1-cyclopentyl-2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid
CID 155953265
3-[2-[(1-cyclohexyl-2,2,2-trifluoroethyl)amino]-2-oxoethyl]imidazole-4-carboxylic acid
CID 166303701
N-(2-amino-1-cyclohexylethyl)-5-phenylpyridine-3-carboxamide
CID 119590618
N-(1-cyclohexylethyl)-5-hydroxypyridine-3-carboxamide
CID 55256172
5-N-butan-2-yl-3-N-cycloheptylpyridine-3,5-dicarboxamide
CID 109102356
N-(1-cyclohexyl-2,2,2-trifluoroethyl)-2-pyridin-4-ylacetamide
CID 122136273
N-(2-amino-1-cyclohexylethyl)-5-fluoropyridine-3-carboxamide;dihydrochloride
CID 119589722
3-N-cyclopentyl-5-N-cyclopropylpyridine-3,5-dicarboxamide
CID 109101527
(2S,3R)-3-[(5-chloro-3-pyridinyl)methyl]-1-[[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]carbamoyl]-4-oxoazetidine-2-carboxylic acid
CID 118299786
5-(cycloheptylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 109223234
phenyl N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]carbamate
CID 135154221
N-[(2E)-2-amino-1-cyclohexyl-2-hydroxyiminoethyl]-5-fluoropyridine-3-carboxamide
CID 104786341

Frequently Asked Questions

What is the IUPAC name of 5-[(1-cyclohexyl-2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(1-cyclohexyl-2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid (CID 146137041) is 5-[(1-cyclohexyl-2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(1-cyclohexyl-2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(1-cyclohexyl-2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid is O=C(O)c1cncc(C(=O)NC(C2CCCCC2)C(F)(F)F)c1.
What is the InChIKey of 5-[(1-cyclohexyl-2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is NVZJDIXPJSOHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O3/c16-15(17,18)12(9-4-2-1-3-5-9)20-13(21)10-6-11(14(22)23)8-19-7-10/h6-9,12H,1-5H2,(H,20,21)(H,22,23).
What are the key properties of 5-[(1-cyclohexyl-2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid?
5-[(1-cyclohexyl-2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 330.31 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-cyclohexyl-2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 146137041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).