5-[2-(4-fluorophenyl)ethynyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyridine-2-carboxamide

C19H19FN2O2 — CID 72713626

IUPAC5-[2-(4-fluorophenyl)ethynyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyridine-2-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(C#Cc2ccc(F)cc2)cn1)C(C)(C)O
InChIInChI=1S/C19H19FN2O2/c1-13(19(2,3)24)22-18(23)17-11-8-15(12-21-17)5-4-14-6-9-16(20)10-7-14/h6-13,24H,1-3H3,(H,22,23)/t13-/m1/s1
InChIKeyBXVZARMDGXMGNT-CYBMUJFWSA-N
MW326.37 g/mol
LogP2.51
Rot. Bonds3

About 5-[2-(4-fluorophenyl)ethynyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyridine-2-carboxamide

5-[2-(4-fluorophenyl)ethynyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyridine-2-carboxamide (PubChem CID 72713626) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 5-[2-(4-fluorophenyl)ethynyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-(4-fluorophenyl)ethynyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyridine-2-carboxamide
PubChem CID72713626
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name5-[2-(4-fluorophenyl)ethynyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyridine-2-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(C#Cc2ccc(F)cc2)cn1)C(C)(C)O
InChIInChI=1S/C19H19FN2O2/c1-13(19(2,3)24)22-18(23)17-11-8-15(12-21-17)5-4-14-6-9-16(20)10-7-14/h6-13,24H,1-3H3,(H,22,23)/t13-/m1/s1
InChIKeyBXVZARMDGXMGNT-CYBMUJFWSA-N
XLogP2.51
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenyl)ethynyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyridine-2-carboxamide?
The IUPAC name of 5-[2-(4-fluorophenyl)ethynyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyridine-2-carboxamide (CID 72713626) is 5-[2-(4-fluorophenyl)ethynyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[2-(4-fluorophenyl)ethynyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-[2-(4-fluorophenyl)ethynyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyridine-2-carboxamide is C[C@@H](NC(=O)c1ccc(C#Cc2ccc(F)cc2)cn1)C(C)(C)O.
What is the InChIKey of 5-[2-(4-fluorophenyl)ethynyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyridine-2-carboxamide?
The InChIKey is BXVZARMDGXMGNT-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-13(19(2,3)24)22-18(23)17-11-8-15(12-21-17)5-4-14-6-9-16(20)10-7-14/h6-13,24H,1-3H3,(H,22,23)/t13-/m1/s1.
What are the key properties of 5-[2-(4-fluorophenyl)ethynyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyridine-2-carboxamide?
5-[2-(4-fluorophenyl)ethynyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyridine-2-carboxamide has a molecular weight of 326.37 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorophenyl)ethynyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 72713626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).