N-(1,1-dimethoxypropan-2-yl)-3-hydroxypyridine-4-carboxamide

C11H16N2O4 — CID 81445583

IUPACN-(1,1-dimethoxypropan-2-yl)-3-hydroxypyridine-4-carboxamide
SMILESCOC(OC)C(C)NC(=O)c1ccncc1O
InChIInChI=1S/C11H16N2O4/c1-7(11(16-2)17-3)13-10(15)8-4-5-12-6-9(8)14/h4-7,11,14H,1-3H3,(H,13,15)
InChIKeyZLAZUACBCJEQKT-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.52
Rot. Bonds5

About N-(1,1-dimethoxypropan-2-yl)-3-hydroxypyridine-4-carboxamide

N-(1,1-dimethoxypropan-2-yl)-3-hydroxypyridine-4-carboxamide (PubChem CID 81445583) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is N-(1,1-dimethoxypropan-2-yl)-3-hydroxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1,1-dimethoxypropan-2-yl)-3-hydroxypyridine-4-carboxamide
PubChem CID81445583
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC NameN-(1,1-dimethoxypropan-2-yl)-3-hydroxypyridine-4-carboxamide
SMILESCOC(OC)C(C)NC(=O)c1ccncc1O
InChIInChI=1S/C11H16N2O4/c1-7(11(16-2)17-3)13-10(15)8-4-5-12-6-9(8)14/h4-7,11,14H,1-3H3,(H,13,15)
InChIKeyZLAZUACBCJEQKT-UHFFFAOYSA-N
XLogP0.52
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-[(3-hydroxypyridine-4-carbonyl)amino]pentanoic acid
CID 81445787
3-hydroxy-N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 81443089
3-hydroxy-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide
CID 80707403
3-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-4-carboxamide
CID 103862917
tris(3-hydroxy-N-methylpyridine-4-carboxamide);iron
CID 163419095
(2R)-2-[(3-hydroxypyridine-4-carbonyl)amino]butanoic acid
CID 81445874
3-hydroxy-N-(1-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 81443248
N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-hydroxypyridine-4-carboxamide
CID 81442678
N-(1-chloro-4-methylpentan-2-yl)-3-hydroxypyridine-4-carboxamide
CID 114300849
N-hexan-3-yl-3-hydroxypyridine-4-carboxamide
CID 81442686
N-(2-chloro-3-methoxypropyl)-3-hydroxypyridine-4-carboxamide
CID 114298783
N-(3-bromo-4-methoxybutyl)-3-hydroxypyridine-4-carboxamide
CID 106244891

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dimethoxypropan-2-yl)-3-hydroxypyridine-4-carboxamide?
The IUPAC name of N-(1,1-dimethoxypropan-2-yl)-3-hydroxypyridine-4-carboxamide (CID 81445583) is N-(1,1-dimethoxypropan-2-yl)-3-hydroxypyridine-4-carboxamide.
What is the SMILES notation for N-(1,1-dimethoxypropan-2-yl)-3-hydroxypyridine-4-carboxamide?
The canonical SMILES for N-(1,1-dimethoxypropan-2-yl)-3-hydroxypyridine-4-carboxamide is COC(OC)C(C)NC(=O)c1ccncc1O.
What is the InChIKey of N-(1,1-dimethoxypropan-2-yl)-3-hydroxypyridine-4-carboxamide?
The InChIKey is ZLAZUACBCJEQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-7(11(16-2)17-3)13-10(15)8-4-5-12-6-9(8)14/h4-7,11,14H,1-3H3,(H,13,15).
What are the key properties of N-(1,1-dimethoxypropan-2-yl)-3-hydroxypyridine-4-carboxamide?
N-(1,1-dimethoxypropan-2-yl)-3-hydroxypyridine-4-carboxamide has a molecular weight of 240.26 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dimethoxypropan-2-yl)-3-hydroxypyridine-4-carboxamide is sourced from PubChem (CID 81445583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).