N-(3-fluoro-4-pyridinyl)-4-(4-hydroxybut-1-ynyl)benzamide

C16H13FN2O2 — CID 107595297

IUPACN-(3-fluoro-4-pyridinyl)-4-(4-hydroxybut-1-ynyl)benzamide
SMILESO=C(Nc1ccncc1F)c1ccc(C#CCCO)cc1
InChIInChI=1S/C16H13FN2O2/c17-14-11-18-9-8-15(14)19-16(21)13-6-4-12(5-7-13)3-1-2-10-20/h4-9,11,20H,2,10H2,(H,18,19,21)
InChIKeyDIKWQPUMVBHKDM-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.21
Rot. Bonds3

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

N-(3-fluoro-4-pyridinyl)-4-(4-hydroxybut-1-ynyl)benzamide (PubChem CID 107595297) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is N-(3-fluoro-4-pyridinyl)-4-(4-hydroxybut-1-ynyl)benzamide.

Molecular Properties

Compound NameN-(3-fluoro-4-pyridinyl)-4-(4-hydroxybut-1-ynyl)benzamide
PubChem CID107595297
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC NameN-(3-fluoro-4-pyridinyl)-4-(4-hydroxybut-1-ynyl)benzamide
SMILESO=C(Nc1ccncc1F)c1ccc(C#CCCO)cc1
InChIInChI=1S/C16H13FN2O2/c17-14-11-18-9-8-15(14)19-16(21)13-6-4-12(5-7-13)3-1-2-10-20/h4-9,11,20H,2,10H2,(H,18,19,21)
InChIKeyDIKWQPUMVBHKDM-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'}

Analyze N-(3-fluoro-4-pyridinyl)-4-(4-hydroxybut-1-ynyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(bromomethyl)-N-(3-fluoro-4-pyridinyl)benzamide
CID 107594820
4-(3-hydroxyprop-1-ynyl)-N-(3-methyl-4-pyridinyl)benzamide
CID 63669871
N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]pyrazine-2-carboxamide
CID 62199009
3-fluoro-N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-4-carboxamide
CID 64949324
4-(3-aminoprop-1-ynyl)-2-fluoro-N-(3-fluoro-4-pyridinyl)benzamide
CID 107595348
4-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzamide
CID 60817307
4-(4-hydroxybut-1-ynyl)-N-(1,2,4-triazin-3-yl)benzamide
CID 114389040
4-hydroxy-N-[4-(4-hydroxybut-1-ynyl)phenyl]benzamide
CID 60803521
N-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]pyridine-4-carboxamide
CID 65435087
N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-2-methylpyrazole-3-carboxamide
CID 60802676
6-bromo-N-(3-fluoro-4-pyridinyl)pyridine-3-carboxamide
CID 103874439
4-bromo-3-fluoro-N-(3-fluoro-4-pyridinyl)benzamide
CID 103871197

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pyridinyl)-4-(4-hydroxybut-1-ynyl)benzamide?
The IUPAC name of N-(3-fluoro-4-pyridinyl)-4-(4-hydroxybut-1-ynyl)benzamide (CID 107595297) is N-(3-fluoro-4-pyridinyl)-4-(4-hydroxybut-1-ynyl)benzamide.
What is the SMILES notation for N-(3-fluoro-4-pyridinyl)-4-(4-hydroxybut-1-ynyl)benzamide?
The canonical SMILES for N-(3-fluoro-4-pyridinyl)-4-(4-hydroxybut-1-ynyl)benzamide is O=C(Nc1ccncc1F)c1ccc(C#CCCO)cc1.
What is the InChIKey of N-(3-fluoro-4-pyridinyl)-4-(4-hydroxybut-1-ynyl)benzamide?
The InChIKey is DIKWQPUMVBHKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c17-14-11-18-9-8-15(14)19-16(21)13-6-4-12(5-7-13)3-1-2-10-20/h4-9,11,20H,2,10H2,(H,18,19,21).
What are the key properties of N-(3-fluoro-4-pyridinyl)-4-(4-hydroxybut-1-ynyl)benzamide?
N-(3-fluoro-4-pyridinyl)-4-(4-hydroxybut-1-ynyl)benzamide 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 N-(3-fluoro-4-pyridinyl)-4-(4-hydroxybut-1-ynyl)benzamide is sourced from PubChem (CID 107595297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).