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'}

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Related Compounds

N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-[2-(4-methylphenyl)ethynyl]pyridine-2-carboxamide
CID 72713852
N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-(2-pyridin-2-ylethynyl)pyridine-2-carboxamide
CID 72713853
5-[2-(4-fluorophenyl)ethynyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyridine-2-carboxamide
CID 72713626
5-[2-(5-fluoro-2-pyridinyl)ethynyl]-N-(3-hydroxy-3-methylbutan-2-yl)pyridine-2-carboxamide
CID 123414415
5-(2-cyclopentylethynyl)-N-(3-hydroxy-3-methylbutan-2-yl)pyridine-2-carboxamide
CID 123903957
5-[2-(4-ethyl-6-methyl-4H-thiopyran-3-yl)ethynyl]-N-(3-hydroxy-3-methylbutan-2-yl)pyridine-2-carboxamide
CID 123658492
5-[2-(3-fluorophenyl)ethynyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-4-methylpyridine-2-carboxamide
CID 72714311
5-(3-hydroxyprop-1-ynyl)-N-(1-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 62958085
N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]-4-(2-pyridin-3-ylethynyl)benzamide
CID 58343493
1-[(3-hydroxy-3-methylbutan-2-yl)amino]-7-(2-pyridin-3-ylethynyl)-5H-pyrido[4,3-b]indole-4-carboxamide
CID 59543163
1-[4-(2-pyridin-3-ylethynyl)phenyl]ethanone
CID 86068222
methyl 4-(2-pyridin-3-ylethynyl)benzoate
CID 15898469

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).