N-ethyl-3-(3-hydroxyprop-1-ynyl)-N-(2-methylpropyl)pyridine-2-carboxamide

C15H20N2O2 — CID 107521425

IUPACN-ethyl-3-(3-hydroxyprop-1-ynyl)-N-(2-methylpropyl)pyridine-2-carboxamide
SMILESCCN(CC(C)C)C(=O)c1ncccc1C#CCO
InChIInChI=1S/C15H20N2O2/c1-4-17(11-12(2)3)15(19)14-13(8-6-10-18)7-5-9-16-14/h5,7,9,12,18H,4,10-11H2,1-3H3
InChIKeyWDMLXEXOBPZEJY-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.54
Rot. Bonds4

About N-ethyl-3-(3-hydroxyprop-1-ynyl)-N-(2-methylpropyl)pyridine-2-carboxamide

N-ethyl-3-(3-hydroxyprop-1-ynyl)-N-(2-methylpropyl)pyridine-2-carboxamide (PubChem CID 107521425) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-ethyl-3-(3-hydroxyprop-1-ynyl)-N-(2-methylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-(3-hydroxyprop-1-ynyl)-N-(2-methylpropyl)pyridine-2-carboxamide
PubChem CID107521425
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-ethyl-3-(3-hydroxyprop-1-ynyl)-N-(2-methylpropyl)pyridine-2-carboxamide
SMILESCCN(CC(C)C)C(=O)c1ncccc1C#CCO
InChIInChI=1S/C15H20N2O2/c1-4-17(11-12(2)3)15(19)14-13(8-6-10-18)7-5-9-16-14/h5,7,9,12,18H,4,10-11H2,1-3H3
InChIKeyWDMLXEXOBPZEJY-UHFFFAOYSA-N
XLogP1.54
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 107521621
N-(2-cyanoethyl)-N-ethyl-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 107521854
N-(2,2-difluoroethyl)-3-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide
CID 107523217
N-(1-hydroxy-2-methylpropan-2-yl)-3-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide
CID 107523154
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-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide
CID 107523284
3-(3-hydroxyprop-1-ynyl)-N-[2-(2-methylpropylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 107523091
3-(3-hydroxyprop-1-ynyl)-N-(4-methylhexan-2-yl)pyridine-2-carboxamide
CID 107522733
3-(3-hydroxyprop-1-ynyl)-N-(3-methylsulfanylbutyl)pyridine-2-carboxamide
CID 107523195
N-ethyl-4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(2-methylpropyl)benzamide
CID 60821605
N-(4-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide
CID 107522163
N-(3,3-dimethylbutan-2-yl)-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 107523135

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3-hydroxyprop-1-ynyl)-N-(2-methylpropyl)pyridine-2-carboxamide?
The IUPAC name of N-ethyl-3-(3-hydroxyprop-1-ynyl)-N-(2-methylpropyl)pyridine-2-carboxamide (CID 107521425) is N-ethyl-3-(3-hydroxyprop-1-ynyl)-N-(2-methylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for N-ethyl-3-(3-hydroxyprop-1-ynyl)-N-(2-methylpropyl)pyridine-2-carboxamide?
The canonical SMILES for N-ethyl-3-(3-hydroxyprop-1-ynyl)-N-(2-methylpropyl)pyridine-2-carboxamide is CCN(CC(C)C)C(=O)c1ncccc1C#CCO.
What is the InChIKey of N-ethyl-3-(3-hydroxyprop-1-ynyl)-N-(2-methylpropyl)pyridine-2-carboxamide?
The InChIKey is WDMLXEXOBPZEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-17(11-12(2)3)15(19)14-13(8-6-10-18)7-5-9-16-14/h5,7,9,12,18H,4,10-11H2,1-3H3.
What are the key properties of N-ethyl-3-(3-hydroxyprop-1-ynyl)-N-(2-methylpropyl)pyridine-2-carboxamide?
N-ethyl-3-(3-hydroxyprop-1-ynyl)-N-(2-methylpropyl)pyridine-2-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(3-hydroxyprop-1-ynyl)-N-(2-methylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 107521425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).