N-(2-hydroxy-2-methylbutyl)-2-methylpyridine-4-carboxamide

C12H18N2O2 — CID 106753404

IUPACN-(2-hydroxy-2-methylbutyl)-2-methylpyridine-4-carboxamide
SMILESCCC(C)(O)CNC(=O)c1ccnc(C)c1
InChIInChI=1S/C12H18N2O2/c1-4-12(3,16)8-14-11(15)10-5-6-13-9(2)7-10/h5-7,16H,4,8H2,1-3H3,(H,14,15)
InChIKeyCKHKTRCLTABSGN-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.28
Rot. Bonds4

About N-(2-hydroxy-2-methylbutyl)-2-methylpyridine-4-carboxamide

N-(2-hydroxy-2-methylbutyl)-2-methylpyridine-4-carboxamide (PubChem CID 106753404) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylbutyl)-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylbutyl)-2-methylpyridine-4-carboxamide
PubChem CID106753404
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-(2-hydroxy-2-methylbutyl)-2-methylpyridine-4-carboxamide
SMILESCCC(C)(O)CNC(=O)c1ccnc(C)c1
InChIInChI=1S/C12H18N2O2/c1-4-12(3,16)8-14-11(15)10-5-6-13-9(2)7-10/h5-7,16H,4,8H2,1-3H3,(H,14,15)
InChIKeyCKHKTRCLTABSGN-UHFFFAOYSA-N
XLogP1.28
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethyl-2-hydroxybutyl)-2-methylpyridine-4-carboxamide
CID 106753405
N-(2-hydroxy-2-methylbutyl)-4-methylbenzamide
CID 65109665
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
3,5-dibromo-N-(2-hydroxy-2-methylbutyl)benzamide
CID 103908910
N-(2-amino-3-ethylpentyl)-2-methylpyridine-4-carboxamide
CID 114168485
N-[(2S)-2-hydroxypropyl]-2-methylpyridine-4-carboxamide
CID 106753450
N-(2-chlorobutyl)-2-methylpyridine-4-carboxamide
CID 106754279
4-amino-N-(2-hydroxy-2-methylbutyl)-3-methoxybenzamide
CID 104783009
4-fluoro-N-(2-hydroxy-2-methylbutyl)-3-methoxybenzamide
CID 81003078
4-bromo-N-(2-hydroxy-2-methylbutyl)benzamide
CID 65111325

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylbutyl)-2-methylpyridine-4-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylbutyl)-2-methylpyridine-4-carboxamide (CID 106753404) is N-(2-hydroxy-2-methylbutyl)-2-methylpyridine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylbutyl)-2-methylpyridine-4-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylbutyl)-2-methylpyridine-4-carboxamide is CCC(C)(O)CNC(=O)c1ccnc(C)c1.
What is the InChIKey of N-(2-hydroxy-2-methylbutyl)-2-methylpyridine-4-carboxamide?
The InChIKey is CKHKTRCLTABSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-4-12(3,16)8-14-11(15)10-5-6-13-9(2)7-10/h5-7,16H,4,8H2,1-3H3,(H,14,15).
What are the key properties of N-(2-hydroxy-2-methylbutyl)-2-methylpyridine-4-carboxamide?
N-(2-hydroxy-2-methylbutyl)-2-methylpyridine-4-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylbutyl)-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 106753404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).