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

C18H19N3O2 — CID 72713853

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-(2-pyridin-2-ylethynyl)pyridine-2-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(C#Cc2ccccn2)cn1)C(C)(C)O
InChIInChI=1S/C18H19N3O2/c1-13(18(2,3)23)21-17(22)16-10-8-14(12-20-16)7-9-15-6-4-5-11-19-15/h4-6,8,10-13,23H,1-3H3,(H,21,22)/t13-/m1/s1
InChIKeyVDYBPFNKBSYVBS-CYBMUJFWSA-N
MW309.37 g/mol
LogP1.77
Rot. Bonds3

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

N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-(2-pyridin-2-ylethynyl)pyridine-2-carboxamide (PubChem CID 72713853) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-(2-pyridin-2-ylethynyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-(2-pyridin-2-ylethynyl)pyridine-2-carboxamide
PubChem CID72713853
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-(2-pyridin-2-ylethynyl)pyridine-2-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(C#Cc2ccccn2)cn1)C(C)(C)O
InChIInChI=1S/C18H19N3O2/c1-13(18(2,3)23)21-17(22)16-10-8-14(12-20-16)7-9-15-6-4-5-11-19-15/h4-6,8,10-13,23H,1-3H3,(H,21,22)/t13-/m1/s1
InChIKeyVDYBPFNKBSYVBS-CYBMUJFWSA-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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-(2-pyridin-2-ylethynyl)pyridine-2-carboxamide?
The IUPAC name of N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-(2-pyridin-2-ylethynyl)pyridine-2-carboxamide (CID 72713853) is N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-(2-pyridin-2-ylethynyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-(2-pyridin-2-ylethynyl)pyridine-2-carboxamide?
The canonical SMILES for N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-(2-pyridin-2-ylethynyl)pyridine-2-carboxamide is C[C@@H](NC(=O)c1ccc(C#Cc2ccccn2)cn1)C(C)(C)O.
What is the InChIKey of N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-(2-pyridin-2-ylethynyl)pyridine-2-carboxamide?
The InChIKey is VDYBPFNKBSYVBS-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-13(18(2,3)23)21-17(22)16-10-8-14(12-20-16)7-9-15-6-4-5-11-19-15/h4-6,8,10-13,23H,1-3H3,(H,21,22)/t13-/m1/s1.
What are the key properties of N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-(2-pyridin-2-ylethynyl)pyridine-2-carboxamide?
N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-(2-pyridin-2-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-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-(2-pyridin-2-ylethynyl)pyridine-2-carboxamide is sourced from PubChem (CID 72713853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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