N-(4-hydroxypentan-2-yl)-2,6-dimethylpyridine-3-carboxamide

C13H20N2O2 — CID 113376501

IUPACN-(4-hydroxypentan-2-yl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC(C)CC(C)O)c(C)n1
InChIInChI=1S/C13H20N2O2/c1-8-5-6-12(11(4)14-8)13(17)15-9(2)7-10(3)16/h5-6,9-10,16H,7H2,1-4H3,(H,15,17)
InChIKeyQEAZTJRSGOAWQD-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.59
Rot. Bonds4

About N-(4-hydroxypentan-2-yl)-2,6-dimethylpyridine-3-carboxamide

N-(4-hydroxypentan-2-yl)-2,6-dimethylpyridine-3-carboxamide (PubChem CID 113376501) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-(4-hydroxypentan-2-yl)-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxypentan-2-yl)-2,6-dimethylpyridine-3-carboxamide
PubChem CID113376501
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-(4-hydroxypentan-2-yl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC(C)CC(C)O)c(C)n1
InChIInChI=1S/C13H20N2O2/c1-8-5-6-12(11(4)14-8)13(17)15-9(2)7-10(3)16/h5-6,9-10,16H,7H2,1-4H3,(H,15,17)
InChIKeyQEAZTJRSGOAWQD-UHFFFAOYSA-N
XLogP1.59
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-aminopropan-2-yl]-2,6-dimethylpyridine-3-carboxamide
CID 104873122
5-[(2,6-dimethylpyridine-3-carbonyl)amino]hexanoic acid
CID 82855283
N-(1-cyanoethyl)-2,6-dimethylpyridine-3-carboxamide
CID 55209186
(2S)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-hydroxypropanoic acid
CID 62828512
N-(1-amino-4-methylpentan-3-yl)-2,6-dimethylpyridine-3-carboxamide
CID 114178127
4-bromo-N-(4-hydroxypentan-2-yl)-2-methylbenzamide
CID 113376588
N-(4-hydroxypentan-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 113384178
N-(4-hydroxy-2,2-dimethylpentyl)-2,6-dimethylpyridine-3-carboxamide
CID 111480117
N-(2-bromopropyl)-2,6-dimethylpyridine-3-carboxamide
CID 114308850
2,6-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 102914586
2,3,4-trifluoro-N-(4-hydroxypentan-2-yl)benzamide
CID 113376547
N-(2-aminopropyl)-2,6-dimethylpyridine-3-carboxamide
CID 63731041

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxypentan-2-yl)-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-(4-hydroxypentan-2-yl)-2,6-dimethylpyridine-3-carboxamide (CID 113376501) is N-(4-hydroxypentan-2-yl)-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-hydroxypentan-2-yl)-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-(4-hydroxypentan-2-yl)-2,6-dimethylpyridine-3-carboxamide is Cc1ccc(C(=O)NC(C)CC(C)O)c(C)n1.
What is the InChIKey of N-(4-hydroxypentan-2-yl)-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is QEAZTJRSGOAWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-8-5-6-12(11(4)14-8)13(17)15-9(2)7-10(3)16/h5-6,9-10,16H,7H2,1-4H3,(H,15,17).
What are the key properties of N-(4-hydroxypentan-2-yl)-2,6-dimethylpyridine-3-carboxamide?
N-(4-hydroxypentan-2-yl)-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 236.31 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxypentan-2-yl)-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 113376501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).