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

C20H17FN2O4 — CID 57405732

IUPACN-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide
SMILESO=C(Nc1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1)C(O)CO
InChIInChI=1S/C20H17FN2O4/c21-14-6-10-16(11-7-14)27-15-8-4-13(5-9-15)17-2-1-3-19(22-17)23-20(26)18(25)12-24/h1-11,18,24-25H,12H2,(H,22,23,26)
InChIKeyOATWERQKYPGQRR-UHFFFAOYSA-N
MW368.36 g/mol
LogP2.97
Rot. Bonds6

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

N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide (PubChem CID 57405732) has the molecular formula C20H17FN2O4 and a molecular weight of 368.36 g/mol. Its IUPAC name is N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide.

Molecular Properties

Compound NameN-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide
PubChem CID57405732
Molecular FormulaC20H17FN2O4
Molecular Weight368.36 g/mol
Exact Mass368.12
IUPAC NameN-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide
SMILESO=C(Nc1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1)C(O)CO
InChIInChI=1S/C20H17FN2O4/c21-14-6-10-16(11-7-14)27-15-8-4-13(5-9-15)17-2-1-3-19(22-17)23-20(26)18(25)12-24/h1-11,18,24-25H,12H2,(H,22,23,26)
InChIKeyOATWERQKYPGQRR-UHFFFAOYSA-N
XLogP2.97
TPSA91.68 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 ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide?
The IUPAC name of N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide (CID 57405732) is N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide.
What is the SMILES notation for N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide?
The canonical SMILES for N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide is O=C(Nc1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1)C(O)CO.
What is the InChIKey of N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide?
The InChIKey is OATWERQKYPGQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O4/c21-14-6-10-16(11-7-14)27-15-8-4-13(5-9-15)17-2-1-3-19(22-17)23-20(26)18(25)12-24/h1-11,18,24-25H,12H2,(H,22,23,26).
What are the key properties of N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide?
N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide has a molecular weight of 368.36 g/mol, XLogP of 2.97, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-2,3-dihydroxypropanamide is sourced from PubChem (CID 57405732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).