(2S)-N-cyclopentyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]butanamide

C16H21F3N2O2 — CID 97210166

IUPAC(2S)-N-cyclopentyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]butanamide
SMILESCC[C@@H](C(=O)NC1CCCC1)n1c(C)cc(C(F)(F)F)cc1=O
InChIInChI=1S/C16H21F3N2O2/c1-3-13(15(23)20-12-6-4-5-7-12)21-10(2)8-11(9-14(21)22)16(17,18)19/h8-9,12-13H,3-7H2,1-2H3,(H,20,23)/t13-/m0/s1
InChIKeyVLFUJYYNUSTBAF-ZDUSSCGKSA-N
MW330.35 g/mol
LogP3.19
Rot. Bonds4

About (2S)-N-cyclopentyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]butanamide

(2S)-N-cyclopentyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]butanamide (PubChem CID 97210166) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]butanamide.

Molecular Properties

Compound Name(2S)-N-cyclopentyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]butanamide
PubChem CID97210166
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC Name(2S)-N-cyclopentyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]butanamide
SMILESCC[C@@H](C(=O)NC1CCCC1)n1c(C)cc(C(F)(F)F)cc1=O
InChIInChI=1S/C16H21F3N2O2/c1-3-13(15(23)20-12-6-4-5-7-12)21-10(2)8-11(9-14(21)22)16(17,18)19/h8-9,12-13H,3-7H2,1-2H3,(H,20,23)/t13-/m0/s1
InChIKeyVLFUJYYNUSTBAF-ZDUSSCGKSA-N
XLogP3.19
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopentyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]butanamide?
The IUPAC name of (2S)-N-cyclopentyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]butanamide (CID 97210166) is (2S)-N-cyclopentyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]butanamide.
What is the SMILES notation for (2S)-N-cyclopentyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]butanamide?
The canonical SMILES for (2S)-N-cyclopentyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]butanamide is CC[C@@H](C(=O)NC1CCCC1)n1c(C)cc(C(F)(F)F)cc1=O.
What is the InChIKey of (2S)-N-cyclopentyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]butanamide?
The InChIKey is VLFUJYYNUSTBAF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c1-3-13(15(23)20-12-6-4-5-7-12)21-10(2)8-11(9-14(21)22)16(17,18)19/h8-9,12-13H,3-7H2,1-2H3,(H,20,23)/t13-/m0/s1.
What are the key properties of (2S)-N-cyclopentyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]butanamide?
(2S)-N-cyclopentyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]butanamide has a molecular weight of 330.35 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopentyl-2-[2-methyl-6-oxo-4-(trifluoromethyl)-1-pyridinyl]butanamide is sourced from PubChem (CID 97210166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).