N-(2,2-dimethyloxan-4-yl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide

C16H20N2O3 — CID 83035238

IUPACN-(2,2-dimethyloxan-4-yl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
SMILESCC1(C)CC(NC(=O)c2ccc(C#CCO)cn2)CCO1
InChIInChI=1S/C16H20N2O3/c1-16(2)10-13(7-9-21-16)18-15(20)14-6-5-12(11-17-14)4-3-8-19/h5-6,11,13,19H,7-10H2,1-2H3,(H,18,20)
InChIKeyWYQVQJCXDLHQFE-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.11
Rot. Bonds2

About N-(2,2-dimethyloxan-4-yl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide

N-(2,2-dimethyloxan-4-yl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide (PubChem CID 83035238) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
PubChem CID83035238
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-(2,2-dimethyloxan-4-yl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
SMILESCC1(C)CC(NC(=O)c2ccc(C#CCO)cn2)CCO1
InChIInChI=1S/C16H20N2O3/c1-16(2)10-13(7-9-21-16)18-15(20)14-6-5-12(11-17-14)4-3-8-19/h5-6,11,13,19H,7-10H2,1-2H3,(H,18,20)
InChIKeyWYQVQJCXDLHQFE-UHFFFAOYSA-N
XLogP1.11
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.11
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

5-(3-hydroxyprop-1-ynyl)-N-(oxan-4-yl)pyridine-2-carboxamide
CID 62960061
N-(2,2-dimethyloxan-4-yl)-5-(methylamino)pyridine-2-carboxamide
CID 104641994
5-cyano-N-(2,2-diethyloxan-4-yl)pyridine-2-carboxamide
CID 82765330
6-chloro-N-(2,2-dimethyloxan-4-yl)pyridazine-3-carboxamide
CID 83033818
N-(2,4-dimethylcyclohexyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 63999206
5-(3-aminoprop-1-ynyl)-N-(2,2-dimethyloxan-4-yl)pyridine-3-carboxamide
CID 83035251
5-(3-aminoprop-1-ynyl)-N-cyclopentylpyridine-2-carboxamide
CID 62960645
N-(2,2-dimethyloxan-4-yl)-6-(methylamino)pyridazine-3-carboxamide
CID 83039941
N-(2,2-dimethyloxan-4-yl)-6-(propylamino)pyridazine-3-carboxamide
CID 83035650
6-bromo-N-(2,2-dimethyloxan-4-yl)pyridine-2-carboxamide
CID 103890092
5-[(2,2-dimethyloxan-4-yl)amino]pyridine-2-carboxylic acid
CID 83040507
5-(3-aminoprop-1-ynyl)-N-(4-ethylcyclohexyl)pyridine-2-carboxamide
CID 62954357

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide (CID 83035238) is N-(2,2-dimethyloxan-4-yl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide is CC1(C)CC(NC(=O)c2ccc(C#CCO)cn2)CCO1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide?
The InChIKey is WYQVQJCXDLHQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-16(2)10-13(7-9-21-16)18-15(20)14-6-5-12(11-17-14)4-3-8-19/h5-6,11,13,19H,7-10H2,1-2H3,(H,18,20).
What are the key properties of N-(2,2-dimethyloxan-4-yl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide?
N-(2,2-dimethyloxan-4-yl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide is sourced from PubChem (CID 83035238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).