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

C15H20N2O2 — CID 62960597

IUPACN-ethyl-5-(4-hydroxybut-1-ynyl)-N-propan-2-ylpyridine-2-carboxamide
SMILESCCN(C(=O)c1ccc(C#CCCO)cn1)C(C)C
InChIInChI=1S/C15H20N2O2/c1-4-17(12(2)3)15(19)14-9-8-13(11-16-14)7-5-6-10-18/h8-9,11-12,18H,4,6,10H2,1-3H3
InChIKeyACEHUHFQFCSSKL-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.69
Rot. Bonds4

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

N-ethyl-5-(4-hydroxybut-1-ynyl)-N-propan-2-ylpyridine-2-carboxamide (PubChem CID 62960597) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-ethyl-5-(4-hydroxybut-1-ynyl)-N-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-(4-hydroxybut-1-ynyl)-N-propan-2-ylpyridine-2-carboxamide
PubChem CID62960597
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-ethyl-5-(4-hydroxybut-1-ynyl)-N-propan-2-ylpyridine-2-carboxamide
SMILESCCN(C(=O)c1ccc(C#CCCO)cn1)C(C)C
InChIInChI=1S/C15H20N2O2/c1-4-17(12(2)3)15(19)14-9-8-13(11-16-14)7-5-6-10-18/h8-9,11-12,18H,4,6,10H2,1-3H3
InChIKeyACEHUHFQFCSSKL-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
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

5-(4-hydroxybut-1-ynyl)-N-(2-methylpropyl)-N-propan-2-ylpyridine-2-carboxamide
CID 62959533
N-ethyl-5-(4-hydroxybut-1-ynyl)-N-methylpyridine-2-carboxamide
CID 62958096
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
5-(3-aminoprop-1-ynyl)-N-(2-hydroxyethyl)-N-propan-2-ylpyridine-2-carboxamide
CID 55152497
N-[2-(diethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 62958957
5-(3-aminoprop-1-ynyl)-N-pentyl-N-propan-2-ylpyridine-2-carboxamide
CID 62954876
N-[2-(ethylamino)-2-oxoethyl]-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 62959512
5-(4-hydroxybut-1-ynyl)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide
CID 63960546
N-[1-(dimethylamino)-1-oxopropan-2-yl]-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 62959339
5-(4-hydroxybut-1-ynyl)-N-(1-methoxypropan-2-yl)pyridine-2-carboxamide
CID 55152113
N-cyclopropyl-5-(4-hydroxybut-1-ynyl)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 62958281

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(4-hydroxybut-1-ynyl)-N-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of N-ethyl-5-(4-hydroxybut-1-ynyl)-N-propan-2-ylpyridine-2-carboxamide (CID 62960597) is N-ethyl-5-(4-hydroxybut-1-ynyl)-N-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for N-ethyl-5-(4-hydroxybut-1-ynyl)-N-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for N-ethyl-5-(4-hydroxybut-1-ynyl)-N-propan-2-ylpyridine-2-carboxamide is CCN(C(=O)c1ccc(C#CCCO)cn1)C(C)C.
What is the InChIKey of N-ethyl-5-(4-hydroxybut-1-ynyl)-N-propan-2-ylpyridine-2-carboxamide?
The InChIKey is ACEHUHFQFCSSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-17(12(2)3)15(19)14-9-8-13(11-16-14)7-5-6-10-18/h8-9,11-12,18H,4,6,10H2,1-3H3.
What are the key properties of N-ethyl-5-(4-hydroxybut-1-ynyl)-N-propan-2-ylpyridine-2-carboxamide?
N-ethyl-5-(4-hydroxybut-1-ynyl)-N-propan-2-ylpyridine-2-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 1.69, 4 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-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 62960597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).