3-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide

C14H13FN2O2 — CID 113356364

IUPAC3-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide
SMILESO=C(N[C@@H](CO)c1ccccc1)c1ccncc1F
InChIInChI=1S/C14H13FN2O2/c15-12-8-16-7-6-11(12)14(19)17-13(9-18)10-4-2-1-3-5-10/h1-8,13,18H,9H2,(H,17,19)/t13-/m0/s1
InChIKeyLDOVPFJGDULOLU-ZDUSSCGKSA-N
MW260.27 g/mol
LogP1.68
Rot. Bonds4

About 3-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide

3-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide (PubChem CID 113356364) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 3-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide
PubChem CID113356364
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name3-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide
SMILESO=C(N[C@@H](CO)c1ccccc1)c1ccncc1F
InChIInChI=1S/C14H13FN2O2/c15-12-8-16-7-6-11(12)14(19)17-13(9-18)10-4-2-1-3-5-10/h1-8,13,18H,9H2,(H,17,19)/t13-/m0/s1
InChIKeyLDOVPFJGDULOLU-ZDUSSCGKSA-N
XLogP1.68
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 3315693
(2R)-2-[(3-fluoropyridine-4-carbonyl)amino]-3-hydroxypropanoic acid
CID 80751208
N-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-fluoropyridine-4-carboxamide
CID 86800518
3-fluoro-N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]pyridine-4-carboxamide
CID 90647997
3-fluoro-N-[(1S)-1-pyridin-3-ylpentyl]pyridine-4-carboxamide
CID 125447618
2,6-difluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184322
2,6-difluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103944481
N-(1-bromo-3-phenylpropan-2-yl)-3-fluoropyridine-4-carboxamide
CID 114311258
N-(1-anilinopropan-2-yl)-3-fluoropyridine-4-carboxamide
CID 71849163
3-fluoro-N-(3-phenylbutyl)pyridine-4-carboxamide
CID 115646100
2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 39374837
N-(2-hydroxy-1-phenylethyl)-2,4-dimethylpyrimidine-5-carboxamide
CID 110001315

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide (CID 113356364) is 3-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide is O=C(N[C@@H](CO)c1ccccc1)c1ccncc1F.
What is the InChIKey of 3-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide?
The InChIKey is LDOVPFJGDULOLU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H13FN2O2/c15-12-8-16-7-6-11(12)14(19)17-13(9-18)10-4-2-1-3-5-10/h1-8,13,18H,9H2,(H,17,19)/t13-/m0/s1.
What are the key properties of 3-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide?
3-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide has a molecular weight of 260.27 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-4-carboxamide is sourced from PubChem (CID 113356364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).