N-(1-hydroxy-2-methylpropan-2-yl)-3-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide

C14H18N2O3 — CID 107523154

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-3-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1ncccc1C#CCO)C(C)(C)CO
InChIInChI=1S/C14H18N2O3/c1-14(2,10-18)16(3)13(19)12-11(7-5-9-17)6-4-8-15-12/h4,6,8,17-18H,9-10H2,1-3H3
InChIKeyAXUDXMYOCAIZSE-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.27
Rot. Bonds3

About N-(1-hydroxy-2-methylpropan-2-yl)-3-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide

N-(1-hydroxy-2-methylpropan-2-yl)-3-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide (PubChem CID 107523154) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-3-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-3-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide
PubChem CID107523154
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-3-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1ncccc1C#CCO)C(C)(C)CO
InChIInChI=1S/C14H18N2O3/c1-14(2,10-18)16(3)13(19)12-11(7-5-9-17)6-4-8-15-12/h4,6,8,17-18H,9-10H2,1-3H3
InChIKeyAXUDXMYOCAIZSE-UHFFFAOYSA-N
XLogP0.27
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methylbutan-2-yl)pyridine-2-carboxamide
CID 107524444
N-(2,2-difluoroethyl)-3-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide
CID 107523217
N-ethyl-3-(3-hydroxyprop-1-ynyl)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 107521425
N-(4-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide
CID 107522163
N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 107521621
3-(3-hydroxyprop-1-ynyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-2-carboxamide
CID 107521925
3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)pyridine-2-carboxamide
CID 107523010
3-(3-hydroxyprop-1-ynyl)-N-(2-methylbutan-2-yl)pyridine-2-carboxamide
CID 107520524
N-[2-(cyclopropylamino)-2-oxoethyl]-3-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide
CID 107521941
N-(furan-3-ylmethyl)-3-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide
CID 107521533
N-(3,3-dimethylbutan-2-yl)-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 107523135
N-(2-cyanoethyl)-N-ethyl-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 107521854

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-3-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-3-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide (CID 107523154) is N-(1-hydroxy-2-methylpropan-2-yl)-3-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-3-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-3-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide is CN(C(=O)c1ncccc1C#CCO)C(C)(C)CO.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-3-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide?
The InChIKey is AXUDXMYOCAIZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-14(2,10-18)16(3)13(19)12-11(7-5-9-17)6-4-8-15-12/h4,6,8,17-18H,9-10H2,1-3H3.
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-3-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide?
N-(1-hydroxy-2-methylpropan-2-yl)-3-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-3-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 107523154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).