N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-oxo-1H-pyridine-4-carboxamide

C11H16N2O4 — CID 104630036

IUPACN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-oxo-1H-pyridine-4-carboxamide
SMILESCCC(CO)(CO)NC(=O)c1cc[nH]c(=O)c1
InChIInChI=1S/C11H16N2O4/c1-2-11(6-14,7-15)13-10(17)8-3-4-12-9(16)5-8/h3-5,14-15H,2,6-7H2,1H3,(H,12,16)(H,13,17)
InChIKeyCLBQBGXOZUYRBZ-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.76
Rot. Bonds5

About N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-oxo-1H-pyridine-4-carboxamide

N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-oxo-1H-pyridine-4-carboxamide (PubChem CID 104630036) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-oxo-1H-pyridine-4-carboxamide
PubChem CID104630036
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC NameN-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-oxo-1H-pyridine-4-carboxamide
SMILESCCC(CO)(CO)NC(=O)c1cc[nH]c(=O)c1
InChIInChI=1S/C11H16N2O4/c1-2-11(6-14,7-15)13-10(17)8-3-4-12-9(16)5-8/h3-5,14-15H,2,6-7H2,1H3,(H,12,16)(H,13,17)
InChIKeyCLBQBGXOZUYRBZ-UHFFFAOYSA-N
XLogP-0.76
TPSA102.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanobutan-2-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 103764912
methyl 2-methyl-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]pentanoate
CID 113257157
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102737542
N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 55209778
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1H-indole-5-carboxamide
CID 107846667
N-(1,3-dihydroxypropan-2-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 104580697
3-chloro-4-hydroxy-N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 62517786
3-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]-4-methylbenzamide
CID 62517240
N-[3-(hydroxymethyl)pentan-3-yl]-3-nitrobenzamide
CID 55082199
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-(trifluoromethyl)benzamide
CID 103602168
N-(2,6-diethylphenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 110600773
N-[2-(ethylamino)-2-oxoethyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103762717

Frequently Asked Questions

What is the IUPAC name of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-oxo-1H-pyridine-4-carboxamide (CID 104630036) is N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-oxo-1H-pyridine-4-carboxamide is CCC(CO)(CO)NC(=O)c1cc[nH]c(=O)c1.
What is the InChIKey of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-oxo-1H-pyridine-4-carboxamide?
The InChIKey is CLBQBGXOZUYRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-2-11(6-14,7-15)13-10(17)8-3-4-12-9(16)5-8/h3-5,14-15H,2,6-7H2,1H3,(H,12,16)(H,13,17).
What are the key properties of N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-oxo-1H-pyridine-4-carboxamide?
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-oxo-1H-pyridine-4-carboxamide has a molecular weight of 240.26 g/mol, XLogP of -0.76, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 104630036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).