N-[(2S)-1-hydroxybutan-2-yl]-3-methylpyridine-2-carboxamide

C11H16N2O2 — CID 104981219

IUPACN-[(2S)-1-hydroxybutan-2-yl]-3-methylpyridine-2-carboxamide
SMILESCC[C@@H](CO)NC(=O)c1ncccc1C
InChIInChI=1S/C11H16N2O2/c1-3-9(7-14)13-11(15)10-8(2)5-4-6-12-10/h4-6,9,14H,3,7H2,1-2H3,(H,13,15)/t9-/m0/s1
InChIKeyIXHZARIVFGKVML-VIFPVBQESA-N
MW208.26 g/mol
LogP0.89
Rot. Bonds4

About N-[(2S)-1-hydroxybutan-2-yl]-3-methylpyridine-2-carboxamide

N-[(2S)-1-hydroxybutan-2-yl]-3-methylpyridine-2-carboxamide (PubChem CID 104981219) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is N-[(2S)-1-hydroxybutan-2-yl]-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxybutan-2-yl]-3-methylpyridine-2-carboxamide
PubChem CID104981219
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC NameN-[(2S)-1-hydroxybutan-2-yl]-3-methylpyridine-2-carboxamide
SMILESCC[C@@H](CO)NC(=O)c1ncccc1C
InChIInChI=1S/C11H16N2O2/c1-3-9(7-14)13-11(15)10-8(2)5-4-6-12-10/h4-6,9,14H,3,7H2,1-2H3,(H,13,15)/t9-/m0/s1
InChIKeyIXHZARIVFGKVML-VIFPVBQESA-N
XLogP0.89
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide
CID 60923596
N-(1-hydroxypropan-2-yl)-3-methylpyridine-2-carboxamide
CID 62341368
(2R)-3-hydroxy-2-[(3-methylpyridine-2-carbonyl)amino]propanoic acid
CID 80750927
N-(1-hydroxybutan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide
CID 175909349
N-(4-hydroxybutan-2-yl)-3-methylpyridine-2-carboxamide
CID 115283439
N-(1-bromo-4-methylpentan-2-yl)-3-methylpyridine-2-carboxamide
CID 114311647
N-[(2R)-1-hydroxybutan-2-yl]-2-(3-methyl-2-pyridinyl)acetamide
CID 107148274
N-(1-aminoethyl)-3-methylpyridine-2-carboxamide
CID 173067121
N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide
CID 43392707
(2R)-2-[(3-methylpyridine-2-carbonyl)amino]pentanoic acid
CID 107563704
N-(4-aminobutan-2-yl)-3-methylpyridine-2-carboxamide
CID 62340960
(2R)-3-methyl-2-[(3-methylpyridine-2-carbonyl)amino]butanoic acid
CID 79011144

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]-3-methylpyridine-2-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]-3-methylpyridine-2-carboxamide (CID 104981219) is N-[(2S)-1-hydroxybutan-2-yl]-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxybutan-2-yl]-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxybutan-2-yl]-3-methylpyridine-2-carboxamide is CC[C@@H](CO)NC(=O)c1ncccc1C.
What is the InChIKey of N-[(2S)-1-hydroxybutan-2-yl]-3-methylpyridine-2-carboxamide?
The InChIKey is IXHZARIVFGKVML-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-9(7-14)13-11(15)10-8(2)5-4-6-12-10/h4-6,9,14H,3,7H2,1-2H3,(H,13,15)/t9-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxybutan-2-yl]-3-methylpyridine-2-carboxamide?
N-[(2S)-1-hydroxybutan-2-yl]-3-methylpyridine-2-carboxamide has a molecular weight of 208.26 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxybutan-2-yl]-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 104981219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).