N-cyclopentyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C12H13F3N2O2 — CID 24605723

IUPACN-cyclopentyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC1CCCC1)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)9-6-5-8(11(19)17-9)10(18)16-7-3-1-2-4-7/h5-7H,1-4H2,(H,16,18)(H,17,19)
InChIKeyNHXFHRBMDVKKGJ-UHFFFAOYSA-N
MW274.24 g/mol
LogP2.07
Rot. Bonds2

About N-cyclopentyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-cyclopentyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 24605723) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is N-cyclopentyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID24605723
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC NameN-cyclopentyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC1CCCC1)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)9-6-5-8(11(19)17-9)10(18)16-7-3-1-2-4-7/h5-7H,1-4H2,(H,16,18)(H,17,19)
InChIKeyNHXFHRBMDVKKGJ-UHFFFAOYSA-N
XLogP2.07
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-cyclopentyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 24605723) is N-cyclopentyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(NC1CCCC1)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-cyclopentyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is NHXFHRBMDVKKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c13-12(14,15)9-6-5-8(11(19)17-9)10(18)16-7-3-1-2-4-7/h5-7H,1-4H2,(H,16,18)(H,17,19).
What are the key properties of N-cyclopentyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-cyclopentyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 274.24 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 24605723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).