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

C20H21FN2O2 — CID 72714311

IUPAC5-[2-(3-fluorophenyl)ethynyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-4-methylpyridine-2-carboxamide
SMILESCc1cc(C(=O)N[C@H](C)C(C)(C)O)ncc1C#Cc1cccc(F)c1
InChIInChI=1S/C20H21FN2O2/c1-13-10-18(19(24)23-14(2)20(3,4)25)22-12-16(13)9-8-15-6-5-7-17(21)11-15/h5-7,10-12,14,25H,1-4H3,(H,23,24)/t14-/m1/s1
InChIKeyWEYNOIFHFFUWAC-CQSZACIVSA-N
MW340.40 g/mol
LogP2.82
Rot. Bonds3

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

5-[2-(3-fluorophenyl)ethynyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-4-methylpyridine-2-carboxamide (PubChem CID 72714311) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is 5-[2-(3-fluorophenyl)ethynyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-4-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-(3-fluorophenyl)ethynyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-4-methylpyridine-2-carboxamide
PubChem CID72714311
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name5-[2-(3-fluorophenyl)ethynyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-4-methylpyridine-2-carboxamide
SMILESCc1cc(C(=O)N[C@H](C)C(C)(C)O)ncc1C#Cc1cccc(F)c1
InChIInChI=1S/C20H21FN2O2/c1-13-10-18(19(24)23-14(2)20(3,4)25)22-12-16(13)9-8-15-6-5-7-17(21)11-15/h5-7,10-12,14,25H,1-4H3,(H,23,24)/t14-/m1/s1
InChIKeyWEYNOIFHFFUWAC-CQSZACIVSA-N
XLogP2.82
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.82
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-(3-fluorophenyl)ethynyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-4-methylpyridine-2-carboxamide?
The IUPAC name of 5-[2-(3-fluorophenyl)ethynyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-4-methylpyridine-2-carboxamide (CID 72714311) is 5-[2-(3-fluorophenyl)ethynyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-4-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[2-(3-fluorophenyl)ethynyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-4-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[2-(3-fluorophenyl)ethynyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-4-methylpyridine-2-carboxamide is Cc1cc(C(=O)N[C@H](C)C(C)(C)O)ncc1C#Cc1cccc(F)c1.
What is the InChIKey of 5-[2-(3-fluorophenyl)ethynyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-4-methylpyridine-2-carboxamide?
The InChIKey is WEYNOIFHFFUWAC-CQSZACIVSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-13-10-18(19(24)23-14(2)20(3,4)25)22-12-16(13)9-8-15-6-5-7-17(21)11-15/h5-7,10-12,14,25H,1-4H3,(H,23,24)/t14-/m1/s1.
What are the key properties of 5-[2-(3-fluorophenyl)ethynyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-4-methylpyridine-2-carboxamide?
5-[2-(3-fluorophenyl)ethynyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-4-methylpyridine-2-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-fluorophenyl)ethynyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-4-methylpyridine-2-carboxamide is sourced from PubChem (CID 72714311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).