4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-(pyridin-3-ylmethyl)butanamide

C15H15F3N2O3 — CID 110883202

IUPAC4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-(pyridin-3-ylmethyl)butanamide
SMILESCc1ccc(C(O)(CC(=O)NCc2cccnc2)C(F)(F)F)o1
InChIInChI=1S/C15H15F3N2O3/c1-10-4-5-12(23-10)14(22,15(16,17)18)7-13(21)20-9-11-3-2-6-19-8-11/h2-6,8,22H,7,9H2,1H3,(H,20,21)
InChIKeyBZSXLEJFZZMCKF-UHFFFAOYSA-N
MW328.29 g/mol
LogP2.44
Rot. Bonds5

About 4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-(pyridin-3-ylmethyl)butanamide

4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-(pyridin-3-ylmethyl)butanamide (PubChem CID 110883202) has the molecular formula C15H15F3N2O3 and a molecular weight of 328.29 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-(pyridin-3-ylmethyl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-(pyridin-3-ylmethyl)butanamide
PubChem CID110883202
Molecular FormulaC15H15F3N2O3
Molecular Weight328.29 g/mol
Exact Mass328.10
IUPAC Name4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-(pyridin-3-ylmethyl)butanamide
SMILESCc1ccc(C(O)(CC(=O)NCc2cccnc2)C(F)(F)F)o1
InChIInChI=1S/C15H15F3N2O3/c1-10-4-5-12(23-10)14(22,15(16,17)18)7-13(21)20-9-11-3-2-6-19-8-11/h2-6,8,22H,7,9H2,1H3,(H,20,21)
InChIKeyBZSXLEJFZZMCKF-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-methylfuran-2-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 4606451
4,4,4-trifluoro-3-hydroxy-N-(6-methoxy-3-pyridinyl)-3-(5-methylfuran-2-yl)butanamide
CID 110883173
N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 34360937
1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-(pyridin-3-ylmethyl)urea
CID 659564
1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)urea
CID 108865842
4,4,4-trifluoro-3-hydroxy-N-[1-(hydroxymethyl)cyclopentyl]-3-(5-methylfuran-2-yl)butanamide
CID 110008785
ethyl 3-oxo-3-(pyridin-3-ylmethylamino)propanoate
CID 110465393
3-oxo-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 102234842
2-[5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(pyridin-3-ylmethyl)acetamide;2,2,2-trifluoroacetic acid
CID 155844147
2-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 47350006
2-[2-oxo-2-(pyridin-3-ylmethylamino)ethoxy]acetic acid
CID 3643287
3-methoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110839174

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-(pyridin-3-ylmethyl)butanamide?
The IUPAC name of 4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-(pyridin-3-ylmethyl)butanamide (CID 110883202) is 4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-(pyridin-3-ylmethyl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-(pyridin-3-ylmethyl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-(pyridin-3-ylmethyl)butanamide is Cc1ccc(C(O)(CC(=O)NCc2cccnc2)C(F)(F)F)o1.
What is the InChIKey of 4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-(pyridin-3-ylmethyl)butanamide?
The InChIKey is BZSXLEJFZZMCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O3/c1-10-4-5-12(23-10)14(22,15(16,17)18)7-13(21)20-9-11-3-2-6-19-8-11/h2-6,8,22H,7,9H2,1H3,(H,20,21).
What are the key properties of 4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-(pyridin-3-ylmethyl)butanamide?
4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-(pyridin-3-ylmethyl)butanamide has a molecular weight of 328.29 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-(pyridin-3-ylmethyl)butanamide is sourced from PubChem (CID 110883202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).