N-(2-ethyl-2-hydroxybutyl)-2-methylpyridine-4-carboxamide

C13H20N2O2 — CID 106753405

IUPACN-(2-ethyl-2-hydroxybutyl)-2-methylpyridine-4-carboxamide
SMILESCCC(O)(CC)CNC(=O)c1ccnc(C)c1
InChIInChI=1S/C13H20N2O2/c1-4-13(17,5-2)9-15-12(16)11-6-7-14-10(3)8-11/h6-8,17H,4-5,9H2,1-3H3,(H,15,16)
InChIKeyYGMMRTHJRXTMNF-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.67
Rot. Bonds5

About N-(2-ethyl-2-hydroxybutyl)-2-methylpyridine-4-carboxamide

N-(2-ethyl-2-hydroxybutyl)-2-methylpyridine-4-carboxamide (PubChem CID 106753405) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-2-methylpyridine-4-carboxamide
PubChem CID106753405
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-2-methylpyridine-4-carboxamide
SMILESCCC(O)(CC)CNC(=O)c1ccnc(C)c1
InChIInChI=1S/C13H20N2O2/c1-4-13(17,5-2)9-15-12(16)11-6-7-14-10(3)8-11/h6-8,17H,4-5,9H2,1-3H3,(H,15,16)
InChIKeyYGMMRTHJRXTMNF-UHFFFAOYSA-N
XLogP1.67
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-methylbutyl)-2-methylpyridine-4-carboxamide
CID 106753404
2-(aminomethyl)-N-(2-ethyl-2-hydroxybutyl)pyridine-4-carboxamide
CID 114326677
N-(2-ethyl-2-hydroxypentyl)-2-fluoropyridine-4-carboxamide
CID 144683885
N-[2-(ethylamino)ethyl]-2-methylpyridine-4-carboxamide
CID 106753602
N-[(2R)-2-hydroxybutyl]-2-methylpyridine-4-carboxamide
CID 130260711
2-methyl-3-[(2-methylpyridine-4-carbonyl)amino]propanoic acid
CID 106752586
3-N-(2-ethyl-2-hydroxybutyl)-1-N-methylbenzene-1,3-dicarboxamide
CID 111483358
N-[(2S)-2-hydroxypropyl]-2-methylpyridine-4-carboxamide
CID 106753450
N-(2-ethyl-2-hydroxybutyl)-2H-benzotriazole-5-carboxamide
CID 65114221
N-(2-chlorobutyl)-2-methylpyridine-4-carboxamide
CID 106754279
2-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyridine-4-carboxamide
CID 106753359
N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzamide
CID 65111998

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-2-methylpyridine-4-carboxamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-2-methylpyridine-4-carboxamide (CID 106753405) is N-(2-ethyl-2-hydroxybutyl)-2-methylpyridine-4-carboxamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-2-methylpyridine-4-carboxamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-2-methylpyridine-4-carboxamide is CCC(O)(CC)CNC(=O)c1ccnc(C)c1.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-2-methylpyridine-4-carboxamide?
The InChIKey is YGMMRTHJRXTMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-13(17,5-2)9-15-12(16)11-6-7-14-10(3)8-11/h6-8,17H,4-5,9H2,1-3H3,(H,15,16).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-2-methylpyridine-4-carboxamide?
N-(2-ethyl-2-hydroxybutyl)-2-methylpyridine-4-carboxamide has a molecular weight of 236.31 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 106753405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).