N-(1-hydroxy-4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide

C11H16N2O4 — CID 114211336

IUPACN-(1-hydroxy-4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide
SMILESCOCCC(CO)NC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C11H16N2O4/c1-17-5-4-9(7-14)13-11(16)8-2-3-10(15)12-6-8/h2-3,6,9,14H,4-5,7H2,1H3,(H,12,15)(H,13,16)
InChIKeyWZEMVJASSLFIRZ-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.50
Rot. Bonds6

About N-(1-hydroxy-4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide

N-(1-hydroxy-4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 114211336) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is N-(1-hydroxy-4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID114211336
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC NameN-(1-hydroxy-4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide
SMILESCOCCC(CO)NC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C11H16N2O4/c1-17-5-4-9(7-14)13-11(16)8-2-3-10(15)12-6-8/h2-3,6,9,14H,4-5,7H2,1H3,(H,12,15)(H,13,16)
InChIKeyWZEMVJASSLFIRZ-UHFFFAOYSA-N
XLogP-0.50
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 62612412
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 107861304
N-(1-hydroxy-4-methoxybutan-2-yl)-3,4-dimethylbenzamide
CID 114211261
4-hydroxy-N-(1-hydroxy-4-methoxybutan-2-yl)-3-methylbenzamide
CID 114211302
N-(3-hydroxy-4-methoxybutyl)-6-oxo-1H-pyridine-3-carboxamide
CID 103877366
N-(1-amino-4-methylpentan-2-yl)-6-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 119588511
N-(1-amino-4-methylpentan-3-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 114178134
N-(1-bromo-4-methylpentan-3-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 106355182
3-(4-methoxyphenyl)-3-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 45342248
6-oxo-1H-pyridine-3-carbohydrazide
CID 11051863
N-[(2S)-1-hydroxy-4-methoxybutan-2-yl]acetamide
CID 157037781
N-(2,3-dihydroxypropyl)-6-oxo-1H-pyridine-3-carboxamide
CID 66176023

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(1-hydroxy-4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide (CID 114211336) is N-(1-hydroxy-4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(1-hydroxy-4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(1-hydroxy-4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide is COCCC(CO)NC(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-(1-hydroxy-4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is WZEMVJASSLFIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-17-5-4-9(7-14)13-11(16)8-2-3-10(15)12-6-8/h2-3,6,9,14H,4-5,7H2,1H3,(H,12,15)(H,13,16).
What are the key properties of N-(1-hydroxy-4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide?
N-(1-hydroxy-4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 240.26 g/mol, XLogP of -0.50, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 114211336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).