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

C14H15F3N2O3 — CID 155953265

IUPAC5-[(1-cyclopentyl-2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(C(=O)NC(C2CCCC2)C(F)(F)F)c1
InChIInChI=1S/C14H15F3N2O3/c15-14(16,17)11(8-3-1-2-4-8)19-12(20)9-5-10(13(21)22)7-18-6-9/h5-8,11H,1-4H2,(H,19,20)(H,21,22)
InChIKeyXWYKYPPXDVYCRZ-UHFFFAOYSA-N
MW316.28 g/mol
LogP2.63
Rot. Bonds4

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

5-[(1-cyclopentyl-2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 155953265) has the molecular formula C14H15F3N2O3 and a molecular weight of 316.28 g/mol. Its IUPAC name is 5-[(1-cyclopentyl-2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(1-cyclopentyl-2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID155953265
Molecular FormulaC14H15F3N2O3
Molecular Weight316.28 g/mol
Exact Mass316.10
IUPAC Name5-[(1-cyclopentyl-2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(C(=O)NC(C2CCCC2)C(F)(F)F)c1
InChIInChI=1S/C14H15F3N2O3/c15-14(16,17)11(8-3-1-2-4-8)19-12(20)9-5-10(13(21)22)7-18-6-9/h5-8,11H,1-4H2,(H,19,20)(H,21,22)
InChIKeyXWYKYPPXDVYCRZ-UHFFFAOYSA-N
XLogP2.63
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(1-cyclohexyl-2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid
CID 146137041
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
3-N-cyclopentyl-5-N-cyclopropylpyridine-3,5-dicarboxamide
CID 109101527
5-N-butan-2-yl-3-N-cycloheptylpyridine-3,5-dicarboxamide
CID 109102356
N-(1-cyclohexylethyl)-5-hydroxypyridine-3-carboxamide
CID 55256172
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
(2S,3R)-3-[(5-chloro-3-pyridinyl)methyl]-1-[[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]carbamoyl]-4-oxoazetidine-2-carboxylic acid
CID 118299786
pyridine-3,5-dicarboxylic acid;hydrochloride
CID 66910809
pyridine-3,5-dicarboxylic acid;dihydrobromide
CID 139466512
N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-fluoropyrazine-2-carboxamide
CID 150859604

Frequently Asked Questions

What is the IUPAC name of 5-[(1-cyclopentyl-2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(1-cyclopentyl-2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid (CID 155953265) is 5-[(1-cyclopentyl-2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(1-cyclopentyl-2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(1-cyclopentyl-2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid is O=C(O)c1cncc(C(=O)NC(C2CCCC2)C(F)(F)F)c1.
What is the InChIKey of 5-[(1-cyclopentyl-2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is XWYKYPPXDVYCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O3/c15-14(16,17)11(8-3-1-2-4-8)19-12(20)9-5-10(13(21)22)7-18-6-9/h5-8,11H,1-4H2,(H,19,20)(H,21,22).
What are the key properties of 5-[(1-cyclopentyl-2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid?
5-[(1-cyclopentyl-2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 316.28 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-cyclopentyl-2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 155953265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).