6-fluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridine-3-carboxamide

C15H15FN2O2 — CID 63978962

IUPAC6-fluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridine-3-carboxamide
SMILESCC(c1ccccc1O)N(C)C(=O)c1ccc(F)nc1
InChIInChI=1S/C15H15FN2O2/c1-10(12-5-3-4-6-13(12)19)18(2)15(20)11-7-8-14(16)17-9-11/h3-10,19H,1-2H3
InChIKeyLBADPIFODNZZTN-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.76
Rot. Bonds3

About 6-fluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridine-3-carboxamide

6-fluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridine-3-carboxamide (PubChem CID 63978962) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 6-fluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridine-3-carboxamide
PubChem CID63978962
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name6-fluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridine-3-carboxamide
SMILESCC(c1ccccc1O)N(C)C(=O)c1ccc(F)nc1
InChIInChI=1S/C15H15FN2O2/c1-10(12-5-3-4-6-13(12)19)18(2)15(20)11-7-8-14(16)17-9-11/h3-10,19H,1-2H3
InChIKeyLBADPIFODNZZTN-UHFFFAOYSA-N
XLogP2.76
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-fluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridine-3-carboxamide (CID 63978962) is 6-fluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-fluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridine-3-carboxamide is CC(c1ccccc1O)N(C)C(=O)c1ccc(F)nc1.
What is the InChIKey of 6-fluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridine-3-carboxamide?
The InChIKey is LBADPIFODNZZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-10(12-5-3-4-6-13(12)19)18(2)15(20)11-7-8-14(16)17-9-11/h3-10,19H,1-2H3.
What are the key properties of 6-fluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridine-3-carboxamide?
6-fluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridine-3-carboxamide has a molecular weight of 274.30 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 63978962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).