N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyridine-4-carboxamide

C11H16N2O2 — CID 106753467

IUPACN-[(2R)-1-hydroxybutan-2-yl]-2-methylpyridine-4-carboxamide
SMILESCC[C@H](CO)NC(=O)c1ccnc(C)c1
InChIInChI=1S/C11H16N2O2/c1-3-10(7-14)13-11(15)9-4-5-12-8(2)6-9/h4-6,10,14H,3,7H2,1-2H3,(H,13,15)/t10-/m1/s1
InChIKeyVTHZWRQYMVYABT-SNVBAGLBSA-N
MW208.26 g/mol
LogP0.89
Rot. Bonds4

About N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyridine-4-carboxamide

N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyridine-4-carboxamide (PubChem CID 106753467) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxybutan-2-yl]-2-methylpyridine-4-carboxamide
PubChem CID106753467
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC NameN-[(2R)-1-hydroxybutan-2-yl]-2-methylpyridine-4-carboxamide
SMILESCC[C@H](CO)NC(=O)c1ccnc(C)c1
InChIInChI=1S/C11H16N2O2/c1-3-10(7-14)13-11(15)9-4-5-12-8(2)6-9/h4-6,10,14H,3,7H2,1-2H3,(H,13,15)/t10-/m1/s1
InChIKeyVTHZWRQYMVYABT-SNVBAGLBSA-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

N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyridine-4-carboxamide
CID 107861142
N-(1-aminopentan-2-yl)-2-methylpyridine-4-carboxamide
CID 106753662
N-(1-amino-1-sulfanylidenebutan-2-yl)-2-methylpyridine-4-carboxamide
CID 106752988
2-bromo-N-pentan-3-ylpyridine-4-carboxamide
CID 103751828
N-(5-hydroxypentan-2-yl)-2-methylpyridine-4-carboxamide
CID 106753439
4-amino-N-[(2S)-1-hydroxybutan-2-yl]-3-methylbenzamide
CID 93081057
3-[(2-methylpyridine-4-carbonyl)amino]butanoic acid
CID 106752504
4-hydroxy-N-[(2R)-1-hydroxybutan-2-yl]-3-methylbenzamide
CID 103958340
N-[(2R)-1-aminopropan-2-yl]-2-methylpyridine-4-carboxamide
CID 106753746
N-[(2R)-2-hydroxybutyl]-2-methylpyridine-4-carboxamide
CID 130260711
N-(4-aminobutan-2-yl)-2-methylpyridine-4-carboxamide
CID 106752319
3,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 103920331

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyridine-4-carboxamide?
The IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyridine-4-carboxamide (CID 106753467) is N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyridine-4-carboxamide?
The canonical SMILES for N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyridine-4-carboxamide is CC[C@H](CO)NC(=O)c1ccnc(C)c1.
What is the InChIKey of N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyridine-4-carboxamide?
The InChIKey is VTHZWRQYMVYABT-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-10(7-14)13-11(15)9-4-5-12-8(2)6-9/h4-6,10,14H,3,7H2,1-2H3,(H,13,15)/t10-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyridine-4-carboxamide?
N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyridine-4-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-[(2R)-1-hydroxybutan-2-yl]-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 106753467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).