N-ethyl-5-(4-hydroxybut-1-ynyl)-N-methylpyridine-2-carboxamide

C13H16N2O2 — CID 62958096

IUPACN-ethyl-5-(4-hydroxybut-1-ynyl)-N-methylpyridine-2-carboxamide
SMILESCCN(C)C(=O)c1ccc(C#CCCO)cn1
InChIInChI=1S/C13H16N2O2/c1-3-15(2)13(17)12-8-7-11(10-14-12)6-4-5-9-16/h7-8,10,16H,3,5,9H2,1-2H3
InChIKeyKNZKMIQMHWNVST-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.91
Rot. Bonds3

About N-ethyl-5-(4-hydroxybut-1-ynyl)-N-methylpyridine-2-carboxamide

N-ethyl-5-(4-hydroxybut-1-ynyl)-N-methylpyridine-2-carboxamide (PubChem CID 62958096) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-ethyl-5-(4-hydroxybut-1-ynyl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-(4-hydroxybut-1-ynyl)-N-methylpyridine-2-carboxamide
PubChem CID62958096
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-ethyl-5-(4-hydroxybut-1-ynyl)-N-methylpyridine-2-carboxamide
SMILESCCN(C)C(=O)c1ccc(C#CCCO)cn1
InChIInChI=1S/C13H16N2O2/c1-3-15(2)13(17)12-8-7-11(10-14-12)6-4-5-9-16/h7-8,10,16H,3,5,9H2,1-2H3
InChIKeyKNZKMIQMHWNVST-UHFFFAOYSA-N
XLogP0.91
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.91
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-ethyl-5-(4-hydroxybut-1-ynyl)-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 62959880
5-(4-hydroxybut-1-ynyl)-N-methyl-N-pentan-3-ylpyridine-2-carboxamide
CID 62958620
N-ethyl-5-(4-hydroxybut-1-ynyl)-N-propan-2-ylpyridine-2-carboxamide
CID 62960597
N-[2-(diethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 62958957
5-(4-hydroxybut-1-ynyl)-N-(2-methylpropyl)-N-propan-2-ylpyridine-2-carboxamide
CID 62959533
N-butyl-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide
CID 55152298
N-[2-(ethylamino)-2-oxoethyl]-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 62959512
N-[1-(dimethylamino)-1-oxopropan-2-yl]-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 62959339
N-cyclopropyl-5-(4-hydroxybut-1-ynyl)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 62958281
5-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)ethyl]-N-methylpyridine-2-carboxamide
CID 63699160
N-(3-ethoxypropyl)-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 62959692
5-(4-hydroxybut-1-ynyl)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 62960232

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(4-hydroxybut-1-ynyl)-N-methylpyridine-2-carboxamide?
The IUPAC name of N-ethyl-5-(4-hydroxybut-1-ynyl)-N-methylpyridine-2-carboxamide (CID 62958096) is N-ethyl-5-(4-hydroxybut-1-ynyl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-ethyl-5-(4-hydroxybut-1-ynyl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-ethyl-5-(4-hydroxybut-1-ynyl)-N-methylpyridine-2-carboxamide is CCN(C)C(=O)c1ccc(C#CCCO)cn1.
What is the InChIKey of N-ethyl-5-(4-hydroxybut-1-ynyl)-N-methylpyridine-2-carboxamide?
The InChIKey is KNZKMIQMHWNVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-3-15(2)13(17)12-8-7-11(10-14-12)6-4-5-9-16/h7-8,10,16H,3,5,9H2,1-2H3.
What are the key properties of N-ethyl-5-(4-hydroxybut-1-ynyl)-N-methylpyridine-2-carboxamide?
N-ethyl-5-(4-hydroxybut-1-ynyl)-N-methylpyridine-2-carboxamide has a molecular weight of 232.28 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(4-hydroxybut-1-ynyl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 62958096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).