N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridine-2-carboxamide

C17H19N3O2S — CID 71547445

IUPACN-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridine-2-carboxamide
SMILESCc1nc(C#Cc2ccc(C(=O)N[C@H](C)C(C)(C)O)nc2)cs1
InChIInChI=1S/C17H19N3O2S/c1-11(17(3,4)22)19-16(21)15-8-6-13(9-18-15)5-7-14-10-23-12(2)20-14/h6,8-11,22H,1-4H3,(H,19,21)/t11-/m1/s1
InChIKeyJZOIIWOBUPBBCB-LLVKDONJSA-N
MW329.43 g/mol
LogP2.14
Rot. Bonds3

About N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridine-2-carboxamide

N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridine-2-carboxamide (PubChem CID 71547445) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridine-2-carboxamide
PubChem CID71547445
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridine-2-carboxamide
SMILESCc1nc(C#Cc2ccc(C(=O)N[C@H](C)C(C)(C)O)nc2)cs1
InChIInChI=1S/C17H19N3O2S/c1-11(17(3,4)22)19-16(21)15-8-6-13(9-18-15)5-7-14-10-23-12(2)20-14/h6,8-11,22H,1-4H3,(H,19,21)/t11-/m1/s1
InChIKeyJZOIIWOBUPBBCB-LLVKDONJSA-N
XLogP2.14
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N4-benzyl-2-(3-pyridyl)-1,3-thiazole-4-carboxamide
CID 2824333
N-{2-[2-(pyridin-3-yl)-1,3-thiazol-4-yl]ethyl}benzamide
CID 7119148
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-phenyl-1,3-thiazol-4-yl)pyridine-3-carboxamide
CID 46861589
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 46870403
N-(1-amino-1,2-dioxoheptan-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)pyridine-3-carboxamide
CID 46870767
N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-(2-pyridin-2-ylethynyl)pyridine-2-carboxamide
CID 72713853
N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-(2-pyridin-3-ylethynyl)pyridine-2-carboxamide
CID 72713854
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide
CID 84462506
N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-(thiophen-2-ylmethyl)-2-pyridinecarboxamide
CID 3950572
N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 4307489
N-[1-(cyanomethylcarbamoyl)cyclohexyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 11588744
2-phenyl-N-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 46546339

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridine-2-carboxamide?
The IUPAC name of N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridine-2-carboxamide (CID 71547445) is N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridine-2-carboxamide is Cc1nc(C#Cc2ccc(C(=O)N[C@H](C)C(C)(C)O)nc2)cs1.
What is the InChIKey of N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridine-2-carboxamide?
The InChIKey is JZOIIWOBUPBBCB-LLVKDONJSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-11(17(3,4)22)19-16(21)15-8-6-13(9-18-15)5-7-14-10-23-12(2)20-14/h6,8-11,22H,1-4H3,(H,19,21)/t11-/m1/s1.
What are the key properties of N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridine-2-carboxamide?
N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridine-2-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridine-2-carboxamide is sourced from PubChem (CID 71547445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).