N-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide

C15H15F3N2O3 — CID 97247632

IUPACN-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESC[C@@H](C[C@@H](O)c1ccco1)NC(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C15H15F3N2O3/c1-9(7-11(21)12-3-2-6-23-12)20-14(22)10-4-5-13(19-8-10)15(16,17)18/h2-6,8-9,11,21H,7H2,1H3,(H,20,22)/t9-,11+/m0/s1
InChIKeyLUPPYBOXYLEVSE-GXSJLCMTSA-N
MW328.29 g/mol
LogP2.94
Rot. Bonds5

About N-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide

N-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 97247632) has the molecular formula C15H15F3N2O3 and a molecular weight of 328.29 g/mol. Its IUPAC name is N-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID97247632
Molecular FormulaC15H15F3N2O3
Molecular Weight328.29 g/mol
Exact Mass328.10
IUPAC NameN-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESC[C@@H](C[C@@H](O)c1ccco1)NC(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C15H15F3N2O3/c1-9(7-11(21)12-3-2-6-23-12)20-14(22)10-4-5-13(19-8-10)15(16,17)18/h2-6,8-9,11,21H,7H2,1H3,(H,20,22)/t9-,11+/m0/s1
InChIKeyLUPPYBOXYLEVSE-GXSJLCMTSA-N
XLogP2.94
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide with MolForge

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Related Compounds

N-[(2R)-1-aminopropan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 104872787
4-fluoro-N-[(2R,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-methoxybenzamide
CID 97328495
N-[(2S,3S)-3-methylpentan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 94663314
N-(4-methylpent-1-yn-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 114202428
N-(1-hydroxybutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 43424634
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 103725771
N-[4-(propan-2-ylcarbamoyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 131941411
(2R)-3-hydroxy-2-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 80749875
N-[(2R)-2-(ethylamino)propyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 120654191
4-bromo-N-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-1H-pyrrole-2-carboxamide
CID 97247644
6-(trifluoromethyl)pyridine-3-carbohydrazide;dihydrochloride
CID 175168012
2-methyl-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 62676946

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 97247632) is N-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide is C[C@@H](C[C@@H](O)c1ccco1)NC(=O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is LUPPYBOXYLEVSE-GXSJLCMTSA-N. The full InChI is InChI=1S/C15H15F3N2O3/c1-9(7-11(21)12-3-2-6-23-12)20-14(22)10-4-5-13(19-8-10)15(16,17)18/h2-6,8-9,11,21H,7H2,1H3,(H,20,22)/t9-,11+/m0/s1.
What are the key properties of N-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 328.29 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 97247632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).