3-hydroxy-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide

C11H16N2O3 — CID 81443332

IUPAC3-hydroxy-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide
SMILESCOCC(C)N(C)C(=O)c1ccncc1O
InChIInChI=1S/C11H16N2O3/c1-8(7-16-3)13(2)11(15)9-4-5-12-6-10(9)14/h4-6,8,14H,7H2,1-3H3
InChIKeyYBVILPQCGHQHFH-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.89
Rot. Bonds4

About 3-hydroxy-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide

3-hydroxy-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide (PubChem CID 81443332) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-hydroxy-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide
PubChem CID81443332
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name3-hydroxy-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide
SMILESCOCC(C)N(C)C(=O)c1ccncc1O
InChIInChI=1S/C11H16N2O3/c1-8(7-16-3)13(2)11(15)9-4-5-12-6-10(9)14/h4-6,8,14H,7H2,1-3H3
InChIKeyYBVILPQCGHQHFH-UHFFFAOYSA-N
XLogP0.89
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-methoxypropan-2-yl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 114244358
3-hydroxy-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pyridine-4-carboxamide
CID 81443763
N-(1-methoxypropan-2-yl)-N-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81242683
tris(3-hydroxy-N-(2-methoxyethyl)-N-methylpyridine-4-carboxamide);iron(3+)
CID 161269738
3-(4-hydroxybut-1-ynyl)-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide
CID 66484600
2-hydroxy-5-iodo-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 113224185
2-chloro-5-hydroxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 106501519
5-hydroxy-N-(1-methoxypropan-2-yl)-N-methylpyridine-3-carboxamide
CID 63866727
N-(2-chloro-3-methoxypropyl)-3-hydroxypyridine-4-carboxamide
CID 114298783
4-hydroxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 61452521
2-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 60794014
methyl 2-[(3-hydroxypyridine-4-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 81443513

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide?
The IUPAC name of 3-hydroxy-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide (CID 81443332) is 3-hydroxy-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 3-hydroxy-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide?
The canonical SMILES for 3-hydroxy-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide is COCC(C)N(C)C(=O)c1ccncc1O.
What is the InChIKey of 3-hydroxy-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide?
The InChIKey is YBVILPQCGHQHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-8(7-16-3)13(2)11(15)9-4-5-12-6-10(9)14/h4-6,8,14H,7H2,1-3H3.
What are the key properties of 3-hydroxy-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide?
3-hydroxy-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide has a molecular weight of 224.26 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 81443332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).