(2S,3R)-3-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide

C20H17FN2O4 — CID 71556804

IUPAC(2S,3R)-3-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide
SMILESNC(=O)[C@@H](O)[C@H](O)c1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C20H17FN2O4/c21-13-6-10-15(11-7-13)27-14-8-4-12(5-9-14)16-2-1-3-17(23-16)18(24)19(25)20(22)26/h1-11,18-19,24-25H,(H2,22,26)/t18-,19+/m1/s1
InChIKeyHNLHTKUVXSMOJF-MOPGFXCFSA-N
MW368.36 g/mol
LogP2.56
Rot. Bonds6

About (2S,3R)-3-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide

(2S,3R)-3-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide (PubChem CID 71556804) has the molecular formula C20H17FN2O4 and a molecular weight of 368.36 g/mol. Its IUPAC name is (2S,3R)-3-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide.

Molecular Properties

Compound Name(2S,3R)-3-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide
PubChem CID71556804
Molecular FormulaC20H17FN2O4
Molecular Weight368.36 g/mol
Exact Mass368.12
IUPAC Name(2S,3R)-3-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide
SMILESNC(=O)[C@@H](O)[C@H](O)c1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C20H17FN2O4/c21-13-6-10-15(11-7-13)27-14-8-4-12(5-9-14)16-2-1-3-17(23-16)18(24)19(25)20(22)26/h1-11,18-19,24-25H,(H2,22,26)/t18-,19+/m1/s1
InChIKeyHNLHTKUVXSMOJF-MOPGFXCFSA-N
XLogP2.56
TPSA105.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide?
The IUPAC name of (2S,3R)-3-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide (CID 71556804) is (2S,3R)-3-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide.
What is the SMILES notation for (2S,3R)-3-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide?
The canonical SMILES for (2S,3R)-3-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide is NC(=O)[C@@H](O)[C@H](O)c1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.
What is the InChIKey of (2S,3R)-3-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide?
The InChIKey is HNLHTKUVXSMOJF-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H17FN2O4/c21-13-6-10-15(11-7-13)27-14-8-4-12(5-9-14)16-2-1-3-17(23-16)18(24)19(25)20(22)26/h1-11,18-19,24-25H,(H2,22,26)/t18-,19+/m1/s1.
What are the key properties of (2S,3R)-3-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide?
(2S,3R)-3-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide has a molecular weight of 368.36 g/mol, XLogP of 2.56, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide is sourced from PubChem (CID 71556804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).