N-[[(3S,4R)-3,4-dihydroxy-1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methyl]cyclopropanecarboxamide

C17H21F3N2O4 — CID 75367850

IUPACN-[[(3S,4R)-3,4-dihydroxy-1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methyl]cyclopropanecarboxamide
SMILESO=C(NCC1(COc2ccc(C(F)(F)F)cn2)C[C@@H](O)[C@@H](O)C1)C1CC1
InChIInChI=1S/C17H21F3N2O4/c18-17(19,20)11-3-4-14(21-7-11)26-9-16(5-12(23)13(24)6-16)8-22-15(25)10-1-2-10/h3-4,7,10,12-13,23-24H,1-2,5-6,8-9H2,(H,22,25)/t12-,13+,16?
InChIKeyZEXXAFNOQFJZEM-OCZCAGDBSA-N
MW374.36 g/mol
LogP1.51
Rot. Bonds6

About N-[[(3S,4R)-3,4-dihydroxy-1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methyl]cyclopropanecarboxamide

N-[[(3S,4R)-3,4-dihydroxy-1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methyl]cyclopropanecarboxamide (PubChem CID 75367850) has the molecular formula C17H21F3N2O4 and a molecular weight of 374.36 g/mol. Its IUPAC name is N-[[(3S,4R)-3,4-dihydroxy-1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[(3S,4R)-3,4-dihydroxy-1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methyl]cyclopropanecarboxamide
PubChem CID75367850
Molecular FormulaC17H21F3N2O4
Molecular Weight374.36 g/mol
Exact Mass374.15
IUPAC NameN-[[(3S,4R)-3,4-dihydroxy-1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methyl]cyclopropanecarboxamide
SMILESO=C(NCC1(COc2ccc(C(F)(F)F)cn2)C[C@@H](O)[C@@H](O)C1)C1CC1
InChIInChI=1S/C17H21F3N2O4/c18-17(19,20)11-3-4-14(21-7-11)26-9-16(5-12(23)13(24)6-16)8-22-15(25)10-1-2-10/h3-4,7,10,12-13,23-24H,1-2,5-6,8-9H2,(H,22,25)/t12-,13+,16?
InChIKeyZEXXAFNOQFJZEM-OCZCAGDBSA-N
XLogP1.51
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S,4R)-3,4-dihydroxy-1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[(3S,4R)-3,4-dihydroxy-1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methyl]cyclopropanecarboxamide (CID 75367850) is N-[[(3S,4R)-3,4-dihydroxy-1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[(3S,4R)-3,4-dihydroxy-1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[(3S,4R)-3,4-dihydroxy-1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methyl]cyclopropanecarboxamide is O=C(NCC1(COc2ccc(C(F)(F)F)cn2)C[C@@H](O)[C@@H](O)C1)C1CC1.
What is the InChIKey of N-[[(3S,4R)-3,4-dihydroxy-1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methyl]cyclopropanecarboxamide?
The InChIKey is ZEXXAFNOQFJZEM-OCZCAGDBSA-N. The full InChI is InChI=1S/C17H21F3N2O4/c18-17(19,20)11-3-4-14(21-7-11)26-9-16(5-12(23)13(24)6-16)8-22-15(25)10-1-2-10/h3-4,7,10,12-13,23-24H,1-2,5-6,8-9H2,(H,22,25)/t12-,13+,16?.
What are the key properties of N-[[(3S,4R)-3,4-dihydroxy-1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methyl]cyclopropanecarboxamide?
N-[[(3S,4R)-3,4-dihydroxy-1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methyl]cyclopropanecarboxamide has a molecular weight of 374.36 g/mol, XLogP of 1.51, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,4R)-3,4-dihydroxy-1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 75367850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).