5-fluoro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]pyridine-3-carboxamide

C14H10FN3O2 — CID 104786279

IUPAC5-fluoro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(C#CCO)n1)c1cncc(F)c1
InChIInChI=1S/C14H10FN3O2/c15-11-7-10(8-16-9-11)14(20)18-13-5-1-3-12(17-13)4-2-6-19/h1,3,5,7-9,19H,6H2,(H,17,18,20)
InChIKeyWVAAFZNGBITZEU-UHFFFAOYSA-N
MW271.25 g/mol
LogP1.21
Rot. Bonds2

About 5-fluoro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]pyridine-3-carboxamide

5-fluoro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 104786279) has the molecular formula C14H10FN3O2 and a molecular weight of 271.25 g/mol. Its IUPAC name is 5-fluoro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]pyridine-3-carboxamide
PubChem CID104786279
Molecular FormulaC14H10FN3O2
Molecular Weight271.25 g/mol
Exact Mass271.08
IUPAC Name5-fluoro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(C#CCO)n1)c1cncc(F)c1
InChIInChI=1S/C14H10FN3O2/c15-11-7-10(8-16-9-11)14(20)18-13-5-1-3-12(17-13)4-2-6-19/h1,3,5,7-9,19H,6H2,(H,17,18,20)
InChIKeyWVAAFZNGBITZEU-UHFFFAOYSA-N
XLogP1.21
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-5-fluoropyridine-3-carboxamide
CID 104786313
N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-4-methylsulfanylbenzamide
CID 79214082
3-chloro-4-fluoro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide
CID 82876344
3-fluoro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]pyridine-4-carboxamide
CID 64951684
5-fluoro-N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-3-carboxamide
CID 104786278
5-chloro-2-hydroxy-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide
CID 60803839
N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1,5-dimethylpyrrole-2-carboxamide
CID 60802463
N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 60805086
N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1-methylpyrrole-2-carboxamide
CID 60803494
5-chloro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]thiophene-2-carboxamide
CID 62276510
1-ethyl-3-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]urea
CID 60814714
N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2,2-dimethylbutanamide
CID 62677687

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]pyridine-3-carboxamide (CID 104786279) is 5-fluoro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]pyridine-3-carboxamide is O=C(Nc1cccc(C#CCO)n1)c1cncc(F)c1.
What is the InChIKey of 5-fluoro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]pyridine-3-carboxamide?
The InChIKey is WVAAFZNGBITZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2/c15-11-7-10(8-16-9-11)14(20)18-13-5-1-3-12(17-13)4-2-6-19/h1,3,5,7-9,19H,6H2,(H,17,18,20).
What are the key properties of 5-fluoro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]pyridine-3-carboxamide?
5-fluoro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 271.25 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 104786279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).