(2S)-2-amino-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-3-hydroxypropanamide

C20H18FN3O3 — CID 57406971

IUPAC(2S)-2-amino-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-3-hydroxypropanamide
SMILESN[C@@H](CO)C(=O)Nc1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C20H18FN3O3/c21-14-6-10-16(11-7-14)27-15-8-4-13(5-9-15)18-2-1-3-19(23-18)24-20(26)17(22)12-25/h1-11,17,25H,12,22H2,(H,23,24,26)/t17-/m0/s1
InChIKeyMOOAUOBWHFWHIE-KRWDZBQOSA-N
MW367.38 g/mol
LogP2.94
Rot. Bonds6

About (2S)-2-amino-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-3-hydroxypropanamide

(2S)-2-amino-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-3-hydroxypropanamide (PubChem CID 57406971) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is (2S)-2-amino-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-3-hydroxypropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-3-hydroxypropanamide
PubChem CID57406971
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC Name(2S)-2-amino-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-3-hydroxypropanamide
SMILESN[C@@H](CO)C(=O)Nc1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C20H18FN3O3/c21-14-6-10-16(11-7-14)27-15-8-4-13(5-9-15)18-2-1-3-19(23-18)24-20(26)17(22)12-25/h1-11,17,25H,12,22H2,(H,23,24,26)/t17-/m0/s1
InChIKeyMOOAUOBWHFWHIE-KRWDZBQOSA-N
XLogP2.94
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-3-hydroxypropanamide?
The IUPAC name of (2S)-2-amino-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-3-hydroxypropanamide (CID 57406971) is (2S)-2-amino-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-3-hydroxypropanamide.
What is the SMILES notation for (2S)-2-amino-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-3-hydroxypropanamide?
The canonical SMILES for (2S)-2-amino-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-3-hydroxypropanamide is N[C@@H](CO)C(=O)Nc1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.
What is the InChIKey of (2S)-2-amino-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-3-hydroxypropanamide?
The InChIKey is MOOAUOBWHFWHIE-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H18FN3O3/c21-14-6-10-16(11-7-14)27-15-8-4-13(5-9-15)18-2-1-3-19(23-18)24-20(26)17(22)12-25/h1-11,17,25H,12,22H2,(H,23,24,26)/t17-/m0/s1.
What are the key properties of (2S)-2-amino-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-3-hydroxypropanamide?
(2S)-2-amino-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-3-hydroxypropanamide has a molecular weight of 367.38 g/mol, XLogP of 2.94, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-3-hydroxypropanamide is sourced from PubChem (CID 57406971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).