N-(3-fluoro-4-pyridinyl)-2-(3-hydroxyprop-1-ynyl)benzamide

C15H11FN2O2 — CID 107595323

IUPACN-(3-fluoro-4-pyridinyl)-2-(3-hydroxyprop-1-ynyl)benzamide
SMILESO=C(Nc1ccncc1F)c1ccccc1C#CCO
InChIInChI=1S/C15H11FN2O2/c16-13-10-17-8-7-14(13)18-15(20)12-6-2-1-4-11(12)5-3-9-19/h1-2,4,6-8,10,19H,9H2,(H,17,18,20)
InChIKeyZMWDORUGIYWHOM-UHFFFAOYSA-N
MW270.26 g/mol
LogP1.82
Rot. Bonds2

About N-(3-fluoro-4-pyridinyl)-2-(3-hydroxyprop-1-ynyl)benzamide

N-(3-fluoro-4-pyridinyl)-2-(3-hydroxyprop-1-ynyl)benzamide (PubChem CID 107595323) has the molecular formula C15H11FN2O2 and a molecular weight of 270.26 g/mol. Its IUPAC name is N-(3-fluoro-4-pyridinyl)-2-(3-hydroxyprop-1-ynyl)benzamide.

Molecular Properties

Compound NameN-(3-fluoro-4-pyridinyl)-2-(3-hydroxyprop-1-ynyl)benzamide
PubChem CID107595323
Molecular FormulaC15H11FN2O2
Molecular Weight270.26 g/mol
Exact Mass270.08
IUPAC NameN-(3-fluoro-4-pyridinyl)-2-(3-hydroxyprop-1-ynyl)benzamide
SMILESO=C(Nc1ccncc1F)c1ccccc1C#CCO
InChIInChI=1S/C15H11FN2O2/c16-13-10-17-8-7-14(13)18-15(20)12-6-2-1-4-11(12)5-3-9-19/h1-2,4,6-8,10,19H,9H2,(H,17,18,20)
InChIKeyZMWDORUGIYWHOM-UHFFFAOYSA-N
XLogP1.82
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 51.82
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

N-(2-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 66484383
3-fluoro-N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-4-carboxamide
CID 64949324
2-amino-N-(3-fluoro-4-pyridinyl)benzamide
CID 107594598
2-(3-aminoprop-1-ynyl)-N-(3-fluoro-4-pyridinyl)-5-methylbenzamide
CID 107595344
N-(2-chloro-5-fluorophenyl)-2-(3-hydroxyprop-1-ynyl)benzamide
CID 107530967
N-(4-fluoro-3-methylphenyl)-2-(3-hydroxyprop-1-ynyl)benzamide
CID 62812600
N-(2-chloro-4-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 66484973
3-(3-aminoprop-1-ynyl)-N-(3-fluoro-4-pyridinyl)pyridine-2-carboxamide
CID 107595336
N-(2,3-dichlorophenyl)-2-(3-hydroxyprop-1-ynyl)benzamide
CID 60815627
2-bromo-3-fluoro-N-(3-fluoro-4-pyridinyl)benzamide
CID 107595178
N-(3-fluoro-4-pyridinyl)-1-hydroxynaphthalene-2-carboxamide
CID 103874401
N-[2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-3-carboxamide
CID 54923430

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pyridinyl)-2-(3-hydroxyprop-1-ynyl)benzamide?
The IUPAC name of N-(3-fluoro-4-pyridinyl)-2-(3-hydroxyprop-1-ynyl)benzamide (CID 107595323) is N-(3-fluoro-4-pyridinyl)-2-(3-hydroxyprop-1-ynyl)benzamide.
What is the SMILES notation for N-(3-fluoro-4-pyridinyl)-2-(3-hydroxyprop-1-ynyl)benzamide?
The canonical SMILES for N-(3-fluoro-4-pyridinyl)-2-(3-hydroxyprop-1-ynyl)benzamide is O=C(Nc1ccncc1F)c1ccccc1C#CCO.
What is the InChIKey of N-(3-fluoro-4-pyridinyl)-2-(3-hydroxyprop-1-ynyl)benzamide?
The InChIKey is ZMWDORUGIYWHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2/c16-13-10-17-8-7-14(13)18-15(20)12-6-2-1-4-11(12)5-3-9-19/h1-2,4,6-8,10,19H,9H2,(H,17,18,20).
What are the key properties of N-(3-fluoro-4-pyridinyl)-2-(3-hydroxyprop-1-ynyl)benzamide?
N-(3-fluoro-4-pyridinyl)-2-(3-hydroxyprop-1-ynyl)benzamide has a molecular weight of 270.26 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-pyridinyl)-2-(3-hydroxyprop-1-ynyl)benzamide is sourced from PubChem (CID 107595323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).