3-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide

C15H19N3O2 — CID 66484211

IUPAC3-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide
SMILESCN1CCCC(NC(=O)c2ccncc2C#CCO)C1
InChIInChI=1S/C15H19N3O2/c1-18-8-2-5-13(11-18)17-15(20)14-6-7-16-10-12(14)4-3-9-19/h6-7,10,13,19H,2,5,8-9,11H2,1H3,(H,17,20)
InChIKeyJLGOOKGNIBRSBO-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.25
Rot. Bonds2

About 3-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide

3-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide (PubChem CID 66484211) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide
PubChem CID66484211
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide
SMILESCN1CCCC(NC(=O)c2ccncc2C#CCO)C1
InChIInChI=1S/C15H19N3O2/c1-18-8-2-5-13(11-18)17-15(20)14-6-7-16-10-12(14)4-3-9-19/h6-7,10,13,19H,2,5,8-9,11H2,1H3,(H,17,20)
InChIKeyJLGOOKGNIBRSBO-UHFFFAOYSA-N
XLogP0.25
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.25
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

4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)benzamide
CID 61223453
3-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)pyridine-2-carboxamide
CID 107521495
3-(3-hydroxyprop-1-ynyl)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
CID 66482261
3-hydroxy-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide
CID 80706689
3-(3-hydroxyprop-1-ynyl)-N-[(1-methylpiperidin-4-yl)methyl]pyridine-4-carboxamide
CID 66482084
4-amino-N-(1-methylpiperidin-3-yl)pyridine-3-carboxamide
CID 81243197
3-hydrazinyl-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide
CID 105071671
N-cyclobutyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide
CID 66481893
3-(3-hydroxyprop-1-ynyl)-4-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 81458784
2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)benzamide
CID 61223454
N-(2-cyclopentylethyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 66482847
3-(3-hydroxyprop-1-ynyl)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-4-carboxamide
CID 79071328

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide?
The IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide (CID 66484211) is 3-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide?
The canonical SMILES for 3-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide is CN1CCCC(NC(=O)c2ccncc2C#CCO)C1.
What is the InChIKey of 3-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide?
The InChIKey is JLGOOKGNIBRSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-18-8-2-5-13(11-18)17-15(20)14-6-7-16-10-12(14)4-3-9-19/h6-7,10,13,19H,2,5,8-9,11H2,1H3,(H,17,20).
What are the key properties of 3-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide?
3-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 66484211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).