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

C18H19N3O2 — CID 123334226

IUPACN-(3-hydroxy-3-methylbutan-2-yl)-5-(2-pyridin-3-ylethynyl)pyridine-2-carboxamide
SMILESCC(NC(=O)c1ccc(C#Cc2cccnc2)cn1)C(C)(C)O
InChIInChI=1S/C18H19N3O2/c1-13(18(2,3)23)21-17(22)16-9-8-15(12-20-16)7-6-14-5-4-10-19-11-14/h4-5,8-13,23H,1-3H3,(H,21,22)
InChIKeyHFRWLEGPUPZQLA-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.77
Rot. Bonds3

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

N-(3-hydroxy-3-methylbutan-2-yl)-5-(2-pyridin-3-ylethynyl)pyridine-2-carboxamide (PubChem CID 123334226) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(3-hydroxy-3-methylbutan-2-yl)-5-(2-pyridin-3-ylethynyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-methylbutan-2-yl)-5-(2-pyridin-3-ylethynyl)pyridine-2-carboxamide
PubChem CID123334226
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-(3-hydroxy-3-methylbutan-2-yl)-5-(2-pyridin-3-ylethynyl)pyridine-2-carboxamide
SMILESCC(NC(=O)c1ccc(C#Cc2cccnc2)cn1)C(C)(C)O
InChIInChI=1S/C18H19N3O2/c1-13(18(2,3)23)21-17(22)16-9-8-15(12-20-16)7-6-14-5-4-10-19-11-14/h4-5,8-13,23H,1-3H3,(H,21,22)
InChIKeyHFRWLEGPUPZQLA-UHFFFAOYSA-N
XLogP1.77
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-hydroxy-3-methylbutan-2-yl)-5-(2-pyridin-3-ylethynyl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-methylbutan-2-yl)-5-(2-pyridin-3-ylethynyl)pyridine-2-carboxamide?
The IUPAC name of N-(3-hydroxy-3-methylbutan-2-yl)-5-(2-pyridin-3-ylethynyl)pyridine-2-carboxamide (CID 123334226) is N-(3-hydroxy-3-methylbutan-2-yl)-5-(2-pyridin-3-ylethynyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-hydroxy-3-methylbutan-2-yl)-5-(2-pyridin-3-ylethynyl)pyridine-2-carboxamide?
The canonical SMILES for N-(3-hydroxy-3-methylbutan-2-yl)-5-(2-pyridin-3-ylethynyl)pyridine-2-carboxamide is CC(NC(=O)c1ccc(C#Cc2cccnc2)cn1)C(C)(C)O.
What is the InChIKey of N-(3-hydroxy-3-methylbutan-2-yl)-5-(2-pyridin-3-ylethynyl)pyridine-2-carboxamide?
The InChIKey is HFRWLEGPUPZQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-13(18(2,3)23)21-17(22)16-9-8-15(12-20-16)7-6-14-5-4-10-19-11-14/h4-5,8-13,23H,1-3H3,(H,21,22).
What are the key properties of N-(3-hydroxy-3-methylbutan-2-yl)-5-(2-pyridin-3-ylethynyl)pyridine-2-carboxamide?
N-(3-hydroxy-3-methylbutan-2-yl)-5-(2-pyridin-3-ylethynyl)pyridine-2-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-methylbutan-2-yl)-5-(2-pyridin-3-ylethynyl)pyridine-2-carboxamide is sourced from PubChem (CID 123334226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).