5-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-2-carboxamide

C15H15FN2O2 — CID 102673867

IUPAC5-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-2-carboxamide
SMILESO=C(N[C@H](CO)Cc1ccccc1)c1ccc(F)cn1
InChIInChI=1S/C15H15FN2O2/c16-12-6-7-14(17-9-12)15(20)18-13(10-19)8-11-4-2-1-3-5-11/h1-7,9,13,19H,8,10H2,(H,18,20)/t13-/m0/s1
InChIKeyZCYVUYCIBBRPMM-ZDUSSCGKSA-N
MW274.30 g/mol
LogP1.55
Rot. Bonds5

About 5-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-2-carboxamide

5-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-2-carboxamide (PubChem CID 102673867) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 5-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-2-carboxamide
PubChem CID102673867
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name5-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-2-carboxamide
SMILESO=C(N[C@H](CO)Cc1ccccc1)c1ccc(F)cn1
InChIInChI=1S/C15H15FN2O2/c16-12-6-7-14(17-9-12)15(20)18-13(10-19)8-11-4-2-1-3-5-11/h1-7,9,13,19H,8,10H2,(H,18,20)/t13-/m0/s1
InChIKeyZCYVUYCIBBRPMM-ZDUSSCGKSA-N
XLogP1.55
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-2-carboxamide?
The IUPAC name of 5-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-2-carboxamide (CID 102673867) is 5-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-2-carboxamide is O=C(N[C@H](CO)Cc1ccccc1)c1ccc(F)cn1.
What is the InChIKey of 5-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-2-carboxamide?
The InChIKey is ZCYVUYCIBBRPMM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H15FN2O2/c16-12-6-7-14(17-9-12)15(20)18-13(10-19)8-11-4-2-1-3-5-11/h1-7,9,13,19H,8,10H2,(H,18,20)/t13-/m0/s1.
What are the key properties of 5-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-2-carboxamide?
5-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-2-carboxamide has a molecular weight of 274.30 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 102673867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).