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

C16H13FN2O2 — CID 79042973

IUPAC3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(2-methyl-3-pyridinyl)benzamide
SMILESCc1ncccc1NC(=O)c1ccc(C#CCO)c(F)c1
InChIInChI=1S/C16H13FN2O2/c1-11-15(5-2-8-18-11)19-16(21)13-7-6-12(4-3-9-20)14(17)10-13/h2,5-8,10,20H,9H2,1H3,(H,19,21)
InChIKeyQVDHZCDZCDEONC-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.13
Rot. Bonds2

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

3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(2-methyl-3-pyridinyl)benzamide (PubChem CID 79042973) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(2-methyl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(2-methyl-3-pyridinyl)benzamide
PubChem CID79042973
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(2-methyl-3-pyridinyl)benzamide
SMILESCc1ncccc1NC(=O)c1ccc(C#CCO)c(F)c1
InChIInChI=1S/C16H13FN2O2/c1-11-15(5-2-8-18-11)19-16(21)13-7-6-12(4-3-9-20)14(17)10-13/h2,5-8,10,20H,9H2,1H3,(H,19,21)
InChIKeyQVDHZCDZCDEONC-UHFFFAOYSA-N
XLogP2.13
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(2-methyl-3-pyridinyl)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-(3-aminoprop-1-ynyl)-3-fluoro-N-(2-methyl-3-pyridinyl)benzamide
CID 79043001
N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide
CID 65481556
3-bromo-4-fluoro-N-(2-methyl-3-pyridinyl)benzamide
CID 103715047
4-fluoro-N-(2-methyl-3-pyridinyl)benzamide
CID 79041653
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpyridine-4-carboxamide
CID 106753843
3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 63296037
N-cyclobutyl-3-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide
CID 62414632
N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylpyridine-4-carboxamide
CID 106753851
3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 106376120
3-fluoro-4-(3-hydroxyprop-1-ynyl)benzoic acid
CID 169485195
4-(ethylamino)-3-methyl-N-(2-methyl-3-pyridinyl)benzamide
CID 79043080
4-bromo-3-hydroxy-N-(2-methyl-3-pyridinyl)benzamide
CID 103957362

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(2-methyl-3-pyridinyl)benzamide?
The IUPAC name of 3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(2-methyl-3-pyridinyl)benzamide (CID 79042973) is 3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(2-methyl-3-pyridinyl)benzamide.
What is the SMILES notation for 3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(2-methyl-3-pyridinyl)benzamide?
The canonical SMILES for 3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(2-methyl-3-pyridinyl)benzamide is Cc1ncccc1NC(=O)c1ccc(C#CCO)c(F)c1.
What is the InChIKey of 3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(2-methyl-3-pyridinyl)benzamide?
The InChIKey is QVDHZCDZCDEONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-11-15(5-2-8-18-11)19-16(21)13-7-6-12(4-3-9-20)14(17)10-13/h2,5-8,10,20H,9H2,1H3,(H,19,21).
What are the key properties of 3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(2-methyl-3-pyridinyl)benzamide?
3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(2-methyl-3-pyridinyl)benzamide has a molecular weight of 284.29 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(2-methyl-3-pyridinyl)benzamide is sourced from PubChem (CID 79042973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).