N-ethyl-3-hydroxy-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide

C12H18N2O3 — CID 81443183

IUPACN-ethyl-3-hydroxy-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)c1ccncc1O
InChIInChI=1S/C12H18N2O3/c1-4-14(8-12(2,3)17)11(16)9-5-6-13-7-10(9)15/h5-7,15,17H,4,8H2,1-3H3
InChIKeyXAWBWBKYBRWIGF-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.02
Rot. Bonds4

About N-ethyl-3-hydroxy-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide

N-ethyl-3-hydroxy-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide (PubChem CID 81443183) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-ethyl-3-hydroxy-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-hydroxy-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
PubChem CID81443183
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-ethyl-3-hydroxy-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)c1ccncc1O
InChIInChI=1S/C12H18N2O3/c1-4-14(8-12(2,3)17)11(16)9-5-6-13-7-10(9)15/h5-7,15,17H,4,8H2,1-3H3
InChIKeyXAWBWBKYBRWIGF-UHFFFAOYSA-N
XLogP1.02
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-hydroxy-N-(2-hydroxy-2-methylpropyl)-2-methylbenzamide
CID 82829511
methyl 2-[(3-hydroxypyridine-4-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 81443513
N,N-bis(cyclopropylmethyl)-3-hydroxypyridine-4-carboxamide
CID 81443103
3-hydroxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide
CID 81443489
N-(cyanomethyl)-3-hydroxy-N-propylpyridine-4-carboxamide
CID 81446513
N-ethyl-3-hydroxy-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 90653439
N-(2-amino-2-sulfanylideneethyl)-3-hydroxy-N-propylpyridine-4-carboxamide
CID 81445579
N-ethyl-3-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 105068933
N-ethyl-N-(2-hydroxy-2-methylpropyl)-1,2-oxazole-5-carboxamide
CID 115278279
3-hydroxy-N-(2-methylbutan-2-yl)pyridine-4-carboxamide
CID 81443662
N-ethyl-3-hydroxy-N-piperidin-4-ylpyridine-4-carboxamide
CID 81443530
N-ethyl-3-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 105071681

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-hydroxy-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide?
The IUPAC name of N-ethyl-3-hydroxy-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide (CID 81443183) is N-ethyl-3-hydroxy-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for N-ethyl-3-hydroxy-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide?
The canonical SMILES for N-ethyl-3-hydroxy-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide is CCN(CC(C)(C)O)C(=O)c1ccncc1O.
What is the InChIKey of N-ethyl-3-hydroxy-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide?
The InChIKey is XAWBWBKYBRWIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-4-14(8-12(2,3)17)11(16)9-5-6-13-7-10(9)15/h5-7,15,17H,4,8H2,1-3H3.
What are the key properties of N-ethyl-3-hydroxy-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide?
N-ethyl-3-hydroxy-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-hydroxy-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 81443183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).