N-(4-hydroxy-2,2-dimethylpentyl)-2,6-dimethylpyridine-3-carboxamide

C15H24N2O2 — CID 111480117

IUPACN-(4-hydroxy-2,2-dimethylpentyl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC(C)(C)CC(C)O)c(C)n1
InChIInChI=1S/C15H24N2O2/c1-10-6-7-13(12(3)17-10)14(19)16-9-15(4,5)8-11(2)18/h6-7,11,18H,8-9H2,1-5H3,(H,16,19)
InChIKeyXPJHMBPJXXZKER-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.23
Rot. Bonds5

About N-(4-hydroxy-2,2-dimethylpentyl)-2,6-dimethylpyridine-3-carboxamide

N-(4-hydroxy-2,2-dimethylpentyl)-2,6-dimethylpyridine-3-carboxamide (PubChem CID 111480117) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylpentyl)-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylpentyl)-2,6-dimethylpyridine-3-carboxamide
PubChem CID111480117
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-(4-hydroxy-2,2-dimethylpentyl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC(C)(C)CC(C)O)c(C)n1
InChIInChI=1S/C15H24N2O2/c1-10-6-7-13(12(3)17-10)14(19)16-9-15(4,5)8-11(2)18/h6-7,11,18H,8-9H2,1-5H3,(H,16,19)
InChIKeyXPJHMBPJXXZKER-UHFFFAOYSA-N
XLogP2.23
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-(3-fluorophenyl)ethynyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-2-methylpyridine-3-carboxamide
CID 72714075
2,6-Dimethylpyridine-3-carboxamide
CID 2824850
7-(4-Hydroxybutylamino)-2-methylquinoline-5,8-dione
CID 44421908
N-(cyclopropylmethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 2796125
Isoquinolin-1(2H)-ones, 3b
CID 134611909
Isoquinolin-1(2H)-ones, 4b
CID 134611911
2-methyl-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 2795952
N-benzyl-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 2796050
N-(2-methoxyethyl)-3-methyl-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]pyrrolidine-3-carboxamide
CID 49790052
N-ethyl-3-methyl-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxamide
CID 49791233
N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-6-methylpyridine-3-carboxamide
CID 71918519
6-methyl-N-[(4-methyloxan-4-yl)methyl]pyridine-3-carboxamide
CID 110875694

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-2,6-dimethylpyridine-3-carboxamide (CID 111480117) is N-(4-hydroxy-2,2-dimethylpentyl)-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylpentyl)-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylpentyl)-2,6-dimethylpyridine-3-carboxamide is Cc1ccc(C(=O)NCC(C)(C)CC(C)O)c(C)n1.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylpentyl)-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is XPJHMBPJXXZKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10-6-7-13(12(3)17-10)14(19)16-9-15(4,5)8-11(2)18/h6-7,11,18H,8-9H2,1-5H3,(H,16,19).
What are the key properties of N-(4-hydroxy-2,2-dimethylpentyl)-2,6-dimethylpyridine-3-carboxamide?
N-(4-hydroxy-2,2-dimethylpentyl)-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylpentyl)-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 111480117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).