3-fluoro-N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-4-carboxamide

C16H13FN2O2 — CID 64949324

IUPAC3-fluoro-N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccccc1C#CCCO)c1ccncc1F
InChIInChI=1S/C16H13FN2O2/c17-14-11-18-9-8-13(14)16(21)19-15-7-2-1-5-12(15)6-3-4-10-20/h1-2,5,7-9,11,20H,4,10H2,(H,19,21)
InChIKeyAUQFVJMHUKAYGN-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.21
Rot. Bonds3

About 3-fluoro-N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-4-carboxamide

3-fluoro-N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-4-carboxamide (PubChem CID 64949324) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 3-fluoro-N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-4-carboxamide
PubChem CID64949324
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name3-fluoro-N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccccc1C#CCCO)c1ccncc1F
InChIInChI=1S/C16H13FN2O2/c17-14-11-18-9-8-13(14)16(21)19-15-7-2-1-5-12(15)6-3-4-10-20/h1-2,5,7-9,11,20H,4,10H2,(H,19,21)
InChIKeyAUQFVJMHUKAYGN-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
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-(4-hydroxybut-1-ynyl)phenyl]pyridazine-4-carboxamide
CID 104671798
3-fluoro-N-[2-(hydroxymethyl)phenyl]pyridine-4-carboxamide
CID 64950888
N-(3-fluoro-4-pyridinyl)-2-(3-hydroxyprop-1-ynyl)benzamide
CID 107595323
N-(2-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 66484383
N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-2-carboxamide
CID 60804032
5-hydroxy-N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-3-carboxamide
CID 63852247
3-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylpyridine-4-carboxamide
CID 66483603
N-[2-(4-hydroxybut-1-ynyl)phenyl]-1-methylpyrazole-3-carboxamide
CID 103121232
2-fluoro-N-(2-hex-1-ynylphenyl)benzamide
CID 102450592
N-(2-ethylsulfanylphenyl)-3-fluoropyridine-4-carboxamide
CID 115645997
N-(3-fluoro-4-pyridinyl)-4-(4-hydroxybut-1-ynyl)benzamide
CID 107595297
3-fluoro-N-[2-(methylaminomethyl)phenyl]pyridine-4-carboxamide
CID 64951287

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-4-carboxamide (CID 64949324) is 3-fluoro-N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-4-carboxamide is O=C(Nc1ccccc1C#CCCO)c1ccncc1F.
What is the InChIKey of 3-fluoro-N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-4-carboxamide?
The InChIKey is AUQFVJMHUKAYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c17-14-11-18-9-8-13(14)16(21)19-15-7-2-1-5-12(15)6-3-4-10-20/h1-2,5,7-9,11,20H,4,10H2,(H,19,21).
What are the key properties of 3-fluoro-N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-4-carboxamide?
3-fluoro-N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-4-carboxamide has a molecular weight of 284.29 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 64949324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).