2,3-dihydroxy-N-[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]propanamide

C21H17F3N2O4 — CID 57405901

IUPAC2,3-dihydroxy-N-[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]propanamide
SMILESO=C(Nc1cccc(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)n1)C(O)CO
InChIInChI=1S/C21H17F3N2O4/c22-21(23,24)14-6-10-16(11-7-14)30-15-8-4-13(5-9-15)17-2-1-3-19(25-17)26-20(29)18(28)12-27/h1-11,18,27-28H,12H2,(H,25,26,29)
InChIKeyMDHMNFPONPTULI-UHFFFAOYSA-N
MW418.37 g/mol
LogP3.85
Rot. Bonds6

About 2,3-dihydroxy-N-[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]propanamide

2,3-dihydroxy-N-[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]propanamide (PubChem CID 57405901) has the molecular formula C21H17F3N2O4 and a molecular weight of 418.37 g/mol. Its IUPAC name is 2,3-dihydroxy-N-[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]propanamide.

Molecular Properties

Compound Name2,3-dihydroxy-N-[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]propanamide
PubChem CID57405901
Molecular FormulaC21H17F3N2O4
Molecular Weight418.37 g/mol
Exact Mass418.11
IUPAC Name2,3-dihydroxy-N-[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]propanamide
SMILESO=C(Nc1cccc(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)n1)C(O)CO
InChIInChI=1S/C21H17F3N2O4/c22-21(23,24)14-6-10-16(11-7-14)30-15-8-4-13(5-9-15)17-2-1-3-19(25-17)26-20(29)18(28)12-27/h1-11,18,27-28H,12H2,(H,25,26,29)
InChIKeyMDHMNFPONPTULI-UHFFFAOYSA-N
XLogP3.85
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.37
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-N-[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]propanamide?
The IUPAC name of 2,3-dihydroxy-N-[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]propanamide (CID 57405901) is 2,3-dihydroxy-N-[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]propanamide.
What is the SMILES notation for 2,3-dihydroxy-N-[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]propanamide?
The canonical SMILES for 2,3-dihydroxy-N-[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]propanamide is O=C(Nc1cccc(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)n1)C(O)CO.
What is the InChIKey of 2,3-dihydroxy-N-[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]propanamide?
The InChIKey is MDHMNFPONPTULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O4/c22-21(23,24)14-6-10-16(11-7-14)30-15-8-4-13(5-9-15)17-2-1-3-19(25-17)26-20(29)18(28)12-27/h1-11,18,27-28H,12H2,(H,25,26,29).
What are the key properties of 2,3-dihydroxy-N-[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]propanamide?
2,3-dihydroxy-N-[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]propanamide has a molecular weight of 418.37 g/mol, XLogP of 3.85, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-N-[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]propanamide is sourced from PubChem (CID 57405901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).