5-fluoro-N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]pyridine-2-carboxamide

C16H13FN2O2 — CID 104639396

IUPAC5-fluoro-N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1C#CCO)c1ccc(F)cn1
InChIInChI=1S/C16H13FN2O2/c17-14-7-8-15(18-11-14)16(21)19-10-13-5-2-1-4-12(13)6-3-9-20/h1-2,4-5,7-8,11,20H,9-10H2,(H,19,21)
InChIKeyFNICWRMNQDKMMX-UHFFFAOYSA-N
MW284.29 g/mol
LogP1.49
Rot. Bonds3

About 5-fluoro-N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]pyridine-2-carboxamide

5-fluoro-N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]pyridine-2-carboxamide (PubChem CID 104639396) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 5-fluoro-N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]pyridine-2-carboxamide
PubChem CID104639396
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name5-fluoro-N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1C#CCO)c1ccc(F)cn1
InChIInChI=1S/C16H13FN2O2/c17-14-7-8-15(18-11-14)16(21)19-10-13-5-2-1-4-12(13)6-3-9-20/h1-2,4-5,7-8,11,20H,9-10H2,(H,19,21)
InChIKeyFNICWRMNQDKMMX-UHFFFAOYSA-N
XLogP1.49
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-N-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]pyridine-2-carboxamide
CID 104639407
N-[(2-ethylphenyl)methyl]-5-fluoropyridine-2-carboxamide
CID 136529873
N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]thiadiazole-5-carboxamide
CID 65215157
5-fluoro-N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-2-carboxamide
CID 104639388
N-benzyl-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 62958951
N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 66334378
N-[(2-fluorophenyl)methyl]-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189342
N-[[2-(4-hydroxybut-1-ynyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 63078905
N-[(5-amino-2-hydroxyphenyl)methyl]-5-fluoropyridine-2-carboxamide
CID 104638035
5-(ethylamino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 104639989
N-[[4-(bromomethyl)phenyl]methyl]-5-fluoropyridine-2-carboxamide
CID 107233891
N-[(4-aminophenyl)methyl]-5-fluoropyridine-2-carboxamide
CID 113435772

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]pyridine-2-carboxamide?
The IUPAC name of 5-fluoro-N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]pyridine-2-carboxamide (CID 104639396) is 5-fluoro-N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]pyridine-2-carboxamide is O=C(NCc1ccccc1C#CCO)c1ccc(F)cn1.
What is the InChIKey of 5-fluoro-N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]pyridine-2-carboxamide?
The InChIKey is FNICWRMNQDKMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c17-14-7-8-15(18-11-14)16(21)19-10-13-5-2-1-4-12(13)6-3-9-20/h1-2,4-5,7-8,11,20H,9-10H2,(H,19,21).
What are the key properties of 5-fluoro-N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]pyridine-2-carboxamide?
5-fluoro-N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]pyridine-2-carboxamide has a molecular weight of 284.29 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 104639396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).