5-(2-cyclopentylethynyl)-N-(3-hydroxy-3-methylbutan-2-yl)pyridine-2-carboxamide

C18H24N2O2 — CID 123903957

IUPAC5-(2-cyclopentylethynyl)-N-(3-hydroxy-3-methylbutan-2-yl)pyridine-2-carboxamide
SMILESCC(NC(=O)c1ccc(C#CC2CCCC2)cn1)C(C)(C)O
InChIInChI=1S/C18H24N2O2/c1-13(18(2,3)22)20-17(21)16-11-10-15(12-19-16)9-8-14-6-4-5-7-14/h10-14,22H,4-7H2,1-3H3,(H,20,21)
InChIKeyAOLIDMLSLQODDU-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.51
Rot. Bonds3

About 5-(2-cyclopentylethynyl)-N-(3-hydroxy-3-methylbutan-2-yl)pyridine-2-carboxamide

5-(2-cyclopentylethynyl)-N-(3-hydroxy-3-methylbutan-2-yl)pyridine-2-carboxamide (PubChem CID 123903957) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 5-(2-cyclopentylethynyl)-N-(3-hydroxy-3-methylbutan-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(2-cyclopentylethynyl)-N-(3-hydroxy-3-methylbutan-2-yl)pyridine-2-carboxamide
PubChem CID123903957
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name5-(2-cyclopentylethynyl)-N-(3-hydroxy-3-methylbutan-2-yl)pyridine-2-carboxamide
SMILESCC(NC(=O)c1ccc(C#CC2CCCC2)cn1)C(C)(C)O
InChIInChI=1S/C18H24N2O2/c1-13(18(2,3)22)20-17(21)16-11-10-15(12-19-16)9-8-14-6-4-5-7-14/h10-14,22H,4-7H2,1-3H3,(H,20,21)
InChIKeyAOLIDMLSLQODDU-UHFFFAOYSA-N
XLogP2.51
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
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-cyclopentylethynyl)-N-(3-hydroxy-3-methylbutan-2-yl)pyridine-2-carboxamide?
The IUPAC name of 5-(2-cyclopentylethynyl)-N-(3-hydroxy-3-methylbutan-2-yl)pyridine-2-carboxamide (CID 123903957) is 5-(2-cyclopentylethynyl)-N-(3-hydroxy-3-methylbutan-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(2-cyclopentylethynyl)-N-(3-hydroxy-3-methylbutan-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-(2-cyclopentylethynyl)-N-(3-hydroxy-3-methylbutan-2-yl)pyridine-2-carboxamide is CC(NC(=O)c1ccc(C#CC2CCCC2)cn1)C(C)(C)O.
What is the InChIKey of 5-(2-cyclopentylethynyl)-N-(3-hydroxy-3-methylbutan-2-yl)pyridine-2-carboxamide?
The InChIKey is AOLIDMLSLQODDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-13(18(2,3)22)20-17(21)16-11-10-15(12-19-16)9-8-14-6-4-5-7-14/h10-14,22H,4-7H2,1-3H3,(H,20,21).
What are the key properties of 5-(2-cyclopentylethynyl)-N-(3-hydroxy-3-methylbutan-2-yl)pyridine-2-carboxamide?
5-(2-cyclopentylethynyl)-N-(3-hydroxy-3-methylbutan-2-yl)pyridine-2-carboxamide has a molecular weight of 300.40 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-cyclopentylethynyl)-N-(3-hydroxy-3-methylbutan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 123903957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).