5-(4-hydroxybut-1-ynyl)-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide

C15H19N3O2 — CID 62958633

IUPAC5-(4-hydroxybut-1-ynyl)-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide
SMILESCN1CCC(NC(=O)c2ccc(C#CCCO)cn2)C1
InChIInChI=1S/C15H19N3O2/c1-18-8-7-13(11-18)17-15(20)14-6-5-12(10-16-14)4-2-3-9-19/h5-6,10,13,19H,3,7-9,11H2,1H3,(H,17,20)
InChIKeyBZCOERBIVZEHSW-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.25
Rot. Bonds3

About 5-(4-hydroxybut-1-ynyl)-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide

5-(4-hydroxybut-1-ynyl)-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide (PubChem CID 62958633) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-(4-hydroxybut-1-ynyl)-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-hydroxybut-1-ynyl)-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide
PubChem CID62958633
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name5-(4-hydroxybut-1-ynyl)-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide
SMILESCN1CCC(NC(=O)c2ccc(C#CCCO)cn2)C1
InChIInChI=1S/C15H19N3O2/c1-18-8-7-13(11-18)17-15(20)14-6-5-12(10-16-14)4-2-3-9-19/h5-6,10,13,19H,3,7-9,11H2,1H3,(H,17,20)
InChIKeyBZCOERBIVZEHSW-UHFFFAOYSA-N
XLogP0.25
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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

5-(4-hydroxybut-1-ynyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-2-carboxamide
CID 106258786
5-(4-hydroxybut-1-ynyl)-N-(2-methylcyclopropyl)pyridine-2-carboxamide
CID 55151928
N-(2,3-dimethylcyclopentyl)-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 64921472
5-(3-aminoprop-1-ynyl)-N-(4-ethylcyclohexyl)pyridine-2-carboxamide
CID 62954357
5-(3-aminoprop-1-ynyl)-N-cyclopentylpyridine-2-carboxamide
CID 62960645
[5-(4-hydroxybut-1-ynyl)-2-pyridinyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102963953
[5-(4-hydroxybut-1-ynyl)-2-pyridinyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114680682
5-(3-hydroxyprop-1-ynyl)-N-(oxan-4-yl)pyridine-2-carboxamide
CID 62960061
N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide
CID 59568965
N-(3-ethoxypropyl)-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 62959692
3-(4-hydroxybut-1-ynyl)-N-(1-methylpiperidin-4-yl)benzamide
CID 60817013
5-(4-hydroxybut-1-ynyl)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 62960232

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxybut-1-ynyl)-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide?
The IUPAC name of 5-(4-hydroxybut-1-ynyl)-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide (CID 62958633) is 5-(4-hydroxybut-1-ynyl)-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(4-hydroxybut-1-ynyl)-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-(4-hydroxybut-1-ynyl)-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide is CN1CCC(NC(=O)c2ccc(C#CCCO)cn2)C1.
What is the InChIKey of 5-(4-hydroxybut-1-ynyl)-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide?
The InChIKey is BZCOERBIVZEHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-18-8-7-13(11-18)17-15(20)14-6-5-12(10-16-14)4-2-3-9-19/h5-6,10,13,19H,3,7-9,11H2,1H3,(H,17,20).
What are the key properties of 5-(4-hydroxybut-1-ynyl)-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide?
5-(4-hydroxybut-1-ynyl)-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxybut-1-ynyl)-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 62958633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).