3-(4-hydroxybut-1-ynyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)pyridine-2-carboxamide

C15H20N2O4 — CID 107523143

IUPAC3-(4-hydroxybut-1-ynyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)pyridine-2-carboxamide
SMILESCOCCN(CCO)C(=O)c1ncccc1C#CCCO
InChIInChI=1S/C15H20N2O4/c1-21-12-9-17(8-11-19)15(20)14-13(5-2-3-10-18)6-4-7-16-14/h4,6-7,18-19H,3,8-12H2,1H3
InChIKeyTYCUNMMSMCCZLT-UHFFFAOYSA-N
MW292.34 g/mol
LogP-0.10
Rot. Bonds7

About 3-(4-hydroxybut-1-ynyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)pyridine-2-carboxamide

3-(4-hydroxybut-1-ynyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)pyridine-2-carboxamide (PubChem CID 107523143) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-(4-hydroxybut-1-ynyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(4-hydroxybut-1-ynyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)pyridine-2-carboxamide
PubChem CID107523143
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name3-(4-hydroxybut-1-ynyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)pyridine-2-carboxamide
SMILESCOCCN(CCO)C(=O)c1ncccc1C#CCCO
InChIInChI=1S/C15H20N2O4/c1-21-12-9-17(8-11-19)15(20)14-13(5-2-3-10-18)6-4-7-16-14/h4,6-7,18-19H,3,8-12H2,1H3
InChIKeyTYCUNMMSMCCZLT-UHFFFAOYSA-N
XLogP-0.10
TPSA82.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-hydroxybut-1-ynyl)-N-(1-methoxybutan-2-yl)pyridine-2-carboxamide
CID 107522619
3-(4-hydroxybut-1-ynyl)-N-methyl-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
CID 107522845
ethyl 2-[[3-(4-hydroxybut-1-ynyl)pyridine-2-carbonyl]-methylamino]acetate
CID 107521797
N-(cyclopropylmethyl)-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 107520618
N-(2-butoxyethyl)-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 107522126
3-(4-hydroxybut-1-ynyl)-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
CID 107521470
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(methylamino)pyridine-3-carboxamide
CID 113468052
N-(2-cyanoethyl)-N-ethyl-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 107521854
N-[3-(ethylamino)-3-oxopropyl]-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 107523109
3-(4-hydroxybut-1-ynyl)-N-(3-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 107521173
3-(4-hydroxybut-1-ynyl)-N-(thian-4-ylmethyl)pyridine-2-carboxamide
CID 107523183
3-(4-hydroxybut-1-ynyl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide
CID 107522402

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxybut-1-ynyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)pyridine-2-carboxamide?
The IUPAC name of 3-(4-hydroxybut-1-ynyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)pyridine-2-carboxamide (CID 107523143) is 3-(4-hydroxybut-1-ynyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-(4-hydroxybut-1-ynyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-(4-hydroxybut-1-ynyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)pyridine-2-carboxamide is COCCN(CCO)C(=O)c1ncccc1C#CCCO.
What is the InChIKey of 3-(4-hydroxybut-1-ynyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)pyridine-2-carboxamide?
The InChIKey is TYCUNMMSMCCZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-21-12-9-17(8-11-19)15(20)14-13(5-2-3-10-18)6-4-7-16-14/h4,6-7,18-19H,3,8-12H2,1H3.
What are the key properties of 3-(4-hydroxybut-1-ynyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)pyridine-2-carboxamide?
3-(4-hydroxybut-1-ynyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)pyridine-2-carboxamide has a molecular weight of 292.34 g/mol, XLogP of -0.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxybut-1-ynyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)pyridine-2-carboxamide is sourced from PubChem (CID 107523143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).