N-[3-fluoro-4-(1-hydroxy-3-methylbut-3-enyl)phenyl]pyridine-2-carboxamide

C17H17FN2O2 — CID 23145600

IUPACN-[3-fluoro-4-(1-hydroxy-3-methylbut-3-enyl)phenyl]pyridine-2-carboxamide
SMILESC=C(C)CC(O)c1ccc(NC(=O)c2ccccn2)cc1F
InChIInChI=1S/C17H17FN2O2/c1-11(2)9-16(21)13-7-6-12(10-14(13)18)20-17(22)15-5-3-4-8-19-15/h3-8,10,16,21H,1,9H2,2H3,(H,20,22)
InChIKeyDELPKPSNJXHGCL-UHFFFAOYSA-N
MW300.33 g/mol
LogP3.47
Rot. Bonds5

About N-[3-fluoro-4-(1-hydroxy-3-methylbut-3-enyl)phenyl]pyridine-2-carboxamide

N-[3-fluoro-4-(1-hydroxy-3-methylbut-3-enyl)phenyl]pyridine-2-carboxamide (PubChem CID 23145600) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is N-[3-fluoro-4-(1-hydroxy-3-methylbut-3-enyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(1-hydroxy-3-methylbut-3-enyl)phenyl]pyridine-2-carboxamide
PubChem CID23145600
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC NameN-[3-fluoro-4-(1-hydroxy-3-methylbut-3-enyl)phenyl]pyridine-2-carboxamide
SMILESC=C(C)CC(O)c1ccc(NC(=O)c2ccccn2)cc1F
InChIInChI=1S/C17H17FN2O2/c1-11(2)9-16(21)13-7-6-12(10-14(13)18)20-17(22)15-5-3-4-8-19-15/h3-8,10,16,21H,1,9H2,2H3,(H,20,22)
InChIKeyDELPKPSNJXHGCL-UHFFFAOYSA-N
XLogP3.47
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(1-hydroxy-3-methylbut-3-enyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-fluoro-4-(1-hydroxy-3-methylbut-3-enyl)phenyl]pyridine-2-carboxamide (CID 23145600) is N-[3-fluoro-4-(1-hydroxy-3-methylbut-3-enyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-(1-hydroxy-3-methylbut-3-enyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-fluoro-4-(1-hydroxy-3-methylbut-3-enyl)phenyl]pyridine-2-carboxamide is C=C(C)CC(O)c1ccc(NC(=O)c2ccccn2)cc1F.
What is the InChIKey of N-[3-fluoro-4-(1-hydroxy-3-methylbut-3-enyl)phenyl]pyridine-2-carboxamide?
The InChIKey is DELPKPSNJXHGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-11(2)9-16(21)13-7-6-12(10-14(13)18)20-17(22)15-5-3-4-8-19-15/h3-8,10,16,21H,1,9H2,2H3,(H,20,22).
What are the key properties of N-[3-fluoro-4-(1-hydroxy-3-methylbut-3-enyl)phenyl]pyridine-2-carboxamide?
N-[3-fluoro-4-(1-hydroxy-3-methylbut-3-enyl)phenyl]pyridine-2-carboxamide has a molecular weight of 300.33 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(1-hydroxy-3-methylbut-3-enyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 23145600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).