N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]-2-methylpropanamide

C15H19F3N2O3 — CID 71693984

IUPACN-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C15H19F3N2O3/c1-7(2)14(23)20-12-9(5-10(21)13(12)22)8-3-4-11(19-6-8)15(16,17)18/h3-4,6-7,9-10,12-13,21-22H,5H2,1-2H3,(H,20,23)/t9-,10-,12-,13-/m1/s1
InChIKeyWNTZBDWRQCZBEP-FPQZTECRSA-N
MW332.32 g/mol
LogP1.45
Rot. Bonds3

About N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]-2-methylpropanamide

N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]-2-methylpropanamide (PubChem CID 71693984) has the molecular formula C15H19F3N2O3 and a molecular weight of 332.32 g/mol. Its IUPAC name is N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]-2-methylpropanamide
PubChem CID71693984
Molecular FormulaC15H19F3N2O3
Molecular Weight332.32 g/mol
Exact Mass332.13
IUPAC NameN-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C15H19F3N2O3/c1-7(2)14(23)20-12-9(5-10(21)13(12)22)8-3-4-11(19-6-8)15(16,17)18/h3-4,6-7,9-10,12-13,21-22H,5H2,1-2H3,(H,20,23)/t9-,10-,12-,13-/m1/s1
InChIKeyWNTZBDWRQCZBEP-FPQZTECRSA-N
XLogP1.45
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]-2-methylpropanamide?
The IUPAC name of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]-2-methylpropanamide (CID 71693984) is N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]-2-methylpropanamide.
What is the SMILES notation for N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]-2-methylpropanamide?
The canonical SMILES for N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]-2-methylpropanamide is CC(C)C(=O)N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]-2-methylpropanamide?
The InChIKey is WNTZBDWRQCZBEP-FPQZTECRSA-N. The full InChI is InChI=1S/C15H19F3N2O3/c1-7(2)14(23)20-12-9(5-10(21)13(12)22)8-3-4-11(19-6-8)15(16,17)18/h3-4,6-7,9-10,12-13,21-22H,5H2,1-2H3,(H,20,23)/t9-,10-,12-,13-/m1/s1.
What are the key properties of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]-2-methylpropanamide?
N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]-2-methylpropanamide has a molecular weight of 332.32 g/mol, XLogP of 1.45, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]-2-methylpropanamide is sourced from PubChem (CID 71693984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).