3-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)pyridine-2-carboxamide

C15H19N3O2 — CID 107521495

IUPAC3-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)pyridine-2-carboxamide
SMILESCN1CCCC(NC(=O)c2ncccc2C#CCO)C1
InChIInChI=1S/C15H19N3O2/c1-18-9-3-7-13(11-18)17-15(20)14-12(6-4-10-19)5-2-8-16-14/h2,5,8,13,19H,3,7,9-11H2,1H3,(H,17,20)
InChIKeyFLINQPXBXLQVDM-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.25
Rot. Bonds2

About 3-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)pyridine-2-carboxamide

3-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)pyridine-2-carboxamide (PubChem CID 107521495) 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-2-carboxamide.

Molecular Properties

Compound Name3-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)pyridine-2-carboxamide
PubChem CID107521495
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)pyridine-2-carboxamide
SMILESCN1CCCC(NC(=O)c2ncccc2C#CCO)C1
InChIInChI=1S/C15H19N3O2/c1-18-9-3-7-13(11-18)17-15(20)14-12(6-4-10-19)5-2-8-16-14/h2,5,8,13,19H,3,7,9-11H2,1H3,(H,17,20)
InChIKeyFLINQPXBXLQVDM-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

3-(3-hydroxyprop-1-ynyl)-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide
CID 107521646
3-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide
CID 66484211
3-(3-hydroxyprop-1-ynyl)-N-(thiolan-3-yl)pyridine-2-carboxamide
CID 107523343
3-(3-hydroxyprop-1-ynyl)-4-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 81458784
3-(3-hydroxyprop-1-ynyl)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-2-carboxamide
CID 107522794
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)benzamide
CID 61223453
N-(2-hydroxycycloheptyl)-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 107523083
3-hydroxy-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide
CID 61465245
3-(4-hydroxybut-1-ynyl)-N-(1-methylpiperidin-3-yl)thiophene-2-carboxamide
CID 63796588
3-(3-hydroxyprop-1-ynyl)-N-[(4-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 107522403
3-(3-aminoprop-1-ynyl)-N-(4-ethylcyclohexyl)pyridine-2-carboxamide
CID 107523986
[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone
CID 107522288

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)pyridine-2-carboxamide?
The IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)pyridine-2-carboxamide (CID 107521495) is 3-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)pyridine-2-carboxamide is CN1CCCC(NC(=O)c2ncccc2C#CCO)C1.
What is the InChIKey of 3-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)pyridine-2-carboxamide?
The InChIKey is FLINQPXBXLQVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-18-9-3-7-13(11-18)17-15(20)14-12(6-4-10-19)5-2-8-16-14/h2,5,8,13,19H,3,7,9-11H2,1H3,(H,17,20).
What are the key properties of 3-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)pyridine-2-carboxamide?
3-(3-hydroxyprop-1-ynyl)-N-(1-methylpiperidin-3-yl)pyridine-2-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-2-carboxamide is sourced from PubChem (CID 107521495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).