N-[(4-fluorophenyl)methyl]-3-hydroxy-N-(2-methylprop-2-enyl)pyridine-2-carboxamide

C17H17FN2O2 — CID 74539913

IUPACN-[(4-fluorophenyl)methyl]-3-hydroxy-N-(2-methylprop-2-enyl)pyridine-2-carboxamide
SMILESC=C(C)CN(Cc1ccc(F)cc1)C(=O)c1ncccc1O
InChIInChI=1S/C17H17FN2O2/c1-12(2)10-20(11-13-5-7-14(18)8-6-13)17(22)16-15(21)4-3-9-19-16/h3-9,21H,1,10-11H2,2H3
InChIKeyCSDTXFXNJXFNDE-UHFFFAOYSA-N
MW300.33 g/mol
LogP3.14
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-3-hydroxy-N-(2-methylprop-2-enyl)pyridine-2-carboxamide

N-[(4-fluorophenyl)methyl]-3-hydroxy-N-(2-methylprop-2-enyl)pyridine-2-carboxamide (PubChem CID 74539913) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-hydroxy-N-(2-methylprop-2-enyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-hydroxy-N-(2-methylprop-2-enyl)pyridine-2-carboxamide
PubChem CID74539913
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC NameN-[(4-fluorophenyl)methyl]-3-hydroxy-N-(2-methylprop-2-enyl)pyridine-2-carboxamide
SMILESC=C(C)CN(Cc1ccc(F)cc1)C(=O)c1ncccc1O
InChIInChI=1S/C17H17FN2O2/c1-12(2)10-20(11-13-5-7-14(18)8-6-13)17(22)16-15(21)4-3-9-19-16/h3-9,21H,1,10-11H2,2H3
InChIKeyCSDTXFXNJXFNDE-UHFFFAOYSA-N
XLogP3.14
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
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-[(4-fluorophenyl)methyl]-3-hydroxy-N-(2-methylprop-2-enyl)pyridine-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-hydroxy-N-(2-methylprop-2-enyl)pyridine-2-carboxamide (CID 74539913) is N-[(4-fluorophenyl)methyl]-3-hydroxy-N-(2-methylprop-2-enyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-hydroxy-N-(2-methylprop-2-enyl)pyridine-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-hydroxy-N-(2-methylprop-2-enyl)pyridine-2-carboxamide is C=C(C)CN(Cc1ccc(F)cc1)C(=O)c1ncccc1O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-hydroxy-N-(2-methylprop-2-enyl)pyridine-2-carboxamide?
The InChIKey is CSDTXFXNJXFNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-12(2)10-20(11-13-5-7-14(18)8-6-13)17(22)16-15(21)4-3-9-19-16/h3-9,21H,1,10-11H2,2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-3-hydroxy-N-(2-methylprop-2-enyl)pyridine-2-carboxamide?
N-[(4-fluorophenyl)methyl]-3-hydroxy-N-(2-methylprop-2-enyl)pyridine-2-carboxamide has a molecular weight of 300.33 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-hydroxy-N-(2-methylprop-2-enyl)pyridine-2-carboxamide is sourced from PubChem (CID 74539913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).