3-(4-hydroxybut-1-ynyl)-N-(1-methoxybutan-2-yl)pyridine-2-carboxamide

C15H20N2O3 — CID 107522619

IUPAC3-(4-hydroxybut-1-ynyl)-N-(1-methoxybutan-2-yl)pyridine-2-carboxamide
SMILESCCC(COC)NC(=O)c1ncccc1C#CCCO
InChIInChI=1S/C15H20N2O3/c1-3-13(11-20-2)17-15(19)14-12(7-4-5-10-18)8-6-9-16-14/h6,8-9,13,18H,3,5,10-11H2,1-2H3,(H,17,19)
InChIKeyJOXINUGWLAPTRO-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.97
Rot. Bonds6

About 3-(4-hydroxybut-1-ynyl)-N-(1-methoxybutan-2-yl)pyridine-2-carboxamide

3-(4-hydroxybut-1-ynyl)-N-(1-methoxybutan-2-yl)pyridine-2-carboxamide (PubChem CID 107522619) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-(4-hydroxybut-1-ynyl)-N-(1-methoxybutan-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(4-hydroxybut-1-ynyl)-N-(1-methoxybutan-2-yl)pyridine-2-carboxamide
PubChem CID107522619
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-(4-hydroxybut-1-ynyl)-N-(1-methoxybutan-2-yl)pyridine-2-carboxamide
SMILESCCC(COC)NC(=O)c1ncccc1C#CCCO
InChIInChI=1S/C15H20N2O3/c1-3-13(11-20-2)17-15(19)14-12(7-4-5-10-18)8-6-9-16-14/h6,8-9,13,18H,3,5,10-11H2,1-2H3,(H,17,19)
InChIKeyJOXINUGWLAPTRO-UHFFFAOYSA-N
XLogP0.97
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.97
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-(1-methoxybutan-2-yl)pyridine-2-carboxamide
CID 107524482
3-(4-hydroxybut-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2-carboxamide
CID 106217757
N-(2-butoxyethyl)-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 107522126
3-(4-hydroxybut-1-ynyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 107523143
N-(cyclopropylmethyl)-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 107520618
N-[3-(ethylamino)-3-oxopropyl]-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 107523109
2-bromo-N-(1-methoxybutan-2-yl)pyridine-3-carboxamide
CID 103755507
3-(4-hydroxybut-1-ynyl)-N-(3-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 107521173
3-(3-hydroxyprop-1-ynyl)-N-octan-4-ylpyridine-2-carboxamide
CID 106021616
3-(3-aminoprop-1-ynyl)-N-(1-cyclopropylbutan-2-yl)pyridine-2-carboxamide
CID 107524452
3-(4-hydroxybut-1-ynyl)-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
CID 107521470
3-(3-hydroxyprop-1-ynyl)-N-(4-methylhexan-2-yl)pyridine-2-carboxamide
CID 107522733

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxybut-1-ynyl)-N-(1-methoxybutan-2-yl)pyridine-2-carboxamide?
The IUPAC name of 3-(4-hydroxybut-1-ynyl)-N-(1-methoxybutan-2-yl)pyridine-2-carboxamide (CID 107522619) is 3-(4-hydroxybut-1-ynyl)-N-(1-methoxybutan-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-(4-hydroxybut-1-ynyl)-N-(1-methoxybutan-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-(4-hydroxybut-1-ynyl)-N-(1-methoxybutan-2-yl)pyridine-2-carboxamide is CCC(COC)NC(=O)c1ncccc1C#CCCO.
What is the InChIKey of 3-(4-hydroxybut-1-ynyl)-N-(1-methoxybutan-2-yl)pyridine-2-carboxamide?
The InChIKey is JOXINUGWLAPTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-13(11-20-2)17-15(19)14-12(7-4-5-10-18)8-6-9-16-14/h6,8-9,13,18H,3,5,10-11H2,1-2H3,(H,17,19).
What are the key properties of 3-(4-hydroxybut-1-ynyl)-N-(1-methoxybutan-2-yl)pyridine-2-carboxamide?
3-(4-hydroxybut-1-ynyl)-N-(1-methoxybutan-2-yl)pyridine-2-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxybut-1-ynyl)-N-(1-methoxybutan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 107522619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).