N-(3,3-dimethylbutan-2-yl)-3-hydroxy-N-methylpyridine-2-carboxamide

C13H20N2O2 — CID 55009248

IUPACN-(3,3-dimethylbutan-2-yl)-3-hydroxy-N-methylpyridine-2-carboxamide
SMILESCC(N(C)C(=O)c1ncccc1O)C(C)(C)C
InChIInChI=1S/C13H20N2O2/c1-9(13(2,3)4)15(5)12(17)11-10(16)7-6-8-14-11/h6-9,16H,1-5H3
InChIKeyHKFKIUUCJHGEEE-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.29
Rot. Bonds2

About N-(3,3-dimethylbutan-2-yl)-3-hydroxy-N-methylpyridine-2-carboxamide

N-(3,3-dimethylbutan-2-yl)-3-hydroxy-N-methylpyridine-2-carboxamide (PubChem CID 55009248) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-3-hydroxy-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-3-hydroxy-N-methylpyridine-2-carboxamide
PubChem CID55009248
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-(3,3-dimethylbutan-2-yl)-3-hydroxy-N-methylpyridine-2-carboxamide
SMILESCC(N(C)C(=O)c1ncccc1O)C(C)(C)C
InChIInChI=1S/C13H20N2O2/c1-9(13(2,3)4)15(5)12(17)11-10(16)7-6-8-14-11/h6-9,16H,1-5H3
InChIKeyHKFKIUUCJHGEEE-UHFFFAOYSA-N
XLogP2.29
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-dimethylbutan-2-yl)-N-methyl-2-(methylamino)pyridine-3-carboxamide
CID 62180109
3-hydroxy-N-methyl-N-phenylpyridine-2-carboxamide
CID 60923476
3-hydroxy-N-methyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]pyridine-2-carboxamide
CID 47000342
3-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 55009007
N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylpyridine-2-carboxamide
CID 62341012
3-hydroxy-N-propan-2-yl-N-propylpyridine-2-carboxamide
CID 60923482
2-[(3-hydroxypyridine-2-carbonyl)-propan-2-ylamino]acetic acid
CID 54893003
N-[3-(dimethylamino)propyl]-3-hydroxy-N-methylpyridine-2-carboxamide
CID 55228119
N-(3,3-dimethylbutan-2-yl)-N,5-dimethyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 47023722
N-[(2S)-3,3-dimethylbutan-2-yl]-N,5-dimethyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 38622620
3-hydroxy-N-(2-hydroxy-2,4-dimethylpentyl)pyridine-2-carboxamide
CID 66179346
N-tert-butyl-3-hydroxypyridine-2-carboxamide
CID 3020808

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-3-hydroxy-N-methylpyridine-2-carboxamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-3-hydroxy-N-methylpyridine-2-carboxamide (CID 55009248) is N-(3,3-dimethylbutan-2-yl)-3-hydroxy-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-3-hydroxy-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-3-hydroxy-N-methylpyridine-2-carboxamide is CC(N(C)C(=O)c1ncccc1O)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-3-hydroxy-N-methylpyridine-2-carboxamide?
The InChIKey is HKFKIUUCJHGEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(13(2,3)4)15(5)12(17)11-10(16)7-6-8-14-11/h6-9,16H,1-5H3.
What are the key properties of N-(3,3-dimethylbutan-2-yl)-3-hydroxy-N-methylpyridine-2-carboxamide?
N-(3,3-dimethylbutan-2-yl)-3-hydroxy-N-methylpyridine-2-carboxamide has a molecular weight of 236.31 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-3-hydroxy-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 55009248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).