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

C18H19F3N2O4 — CID 71693995

IUPACN-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)N[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2ccc(C(F)(F)F)nc2)c(C)o1
InChIInChI=1S/C18H19F3N2O4/c1-8-5-11(9(2)27-8)17(26)23-15-12(6-13(24)16(15)25)10-3-4-14(22-7-10)18(19,20)21/h3-5,7,12-13,15-16,24-25H,6H2,1-2H3,(H,23,26)/t12-,13-,15-,16-/m1/s1
InChIKeyHOCJWKXOQLMRNP-RRCSTGOVSA-N
MW384.35 g/mol
LogP2.32
Rot. Bonds3

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

N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 71693995) has the molecular formula C18H19F3N2O4 and a molecular weight of 384.35 g/mol. Its IUPAC name is N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID71693995
Molecular FormulaC18H19F3N2O4
Molecular Weight384.35 g/mol
Exact Mass384.13
IUPAC NameN-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)N[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2ccc(C(F)(F)F)nc2)c(C)o1
InChIInChI=1S/C18H19F3N2O4/c1-8-5-11(9(2)27-8)17(26)23-15-12(6-13(24)16(15)25)10-3-4-14(22-7-10)18(19,20)21/h3-5,7,12-13,15-16,24-25H,6H2,1-2H3,(H,23,26)/t12-,13-,15-,16-/m1/s1
InChIKeyHOCJWKXOQLMRNP-RRCSTGOVSA-N
XLogP2.32
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 78151025
N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide
CID 71693957
N-[2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]-1,2-oxazole-5-carboxamide
CID 78150994
N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]-4-methoxybenzamide
CID 71693937
N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]acetamide
CID 71693936
1-[(1R,2S)-2-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]ethanone
CID 156514517
3-cyano-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]benzamide
CID 71693954
N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]pyrimidine-5-carboxamide
CID 71693775
N-[2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]pyrazine-2-carboxamide
CID 78150805
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-2,5-dimethylfuran-3-carboxamide
CID 43603808
5-(1-methyl-4-nitropyrrolidin-3-yl)-2-(trifluoromethyl)pyridine
CID 146402114
2,5-dimethyl-N-(5-methyl-2-pyridinyl)furan-3-carboxamide
CID 18106811

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]-2,5-dimethylfuran-3-carboxamide (CID 71693995) is N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)N[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2ccc(C(F)(F)F)nc2)c(C)o1.
What is the InChIKey of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is HOCJWKXOQLMRNP-RRCSTGOVSA-N. The full InChI is InChI=1S/C18H19F3N2O4/c1-8-5-11(9(2)27-8)17(26)23-15-12(6-13(24)16(15)25)10-3-4-14(22-7-10)18(19,20)21/h3-5,7,12-13,15-16,24-25H,6H2,1-2H3,(H,23,26)/t12-,13-,15-,16-/m1/s1.
What are the key properties of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]-2,5-dimethylfuran-3-carboxamide?
N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 384.35 g/mol, XLogP of 2.32, 3 rotatable bonds, 3 hydrogen bond donors, and 5 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]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 71693995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).