3-(3-hydroxyprop-1-ynyl)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-2-carboxamide

C15H19N3O3 — CID 107522794

IUPAC3-(3-hydroxyprop-1-ynyl)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-2-carboxamide
SMILESCN1CCOC(CNC(=O)c2ncccc2C#CCO)C1
InChIInChI=1S/C15H19N3O3/c1-18-7-9-21-13(11-18)10-17-15(20)14-12(5-3-8-19)4-2-6-16-14/h2,4,6,13,19H,7-11H2,1H3,(H,17,20)
InChIKeyYZKFOXCZZJQAJB-UHFFFAOYSA-N
MW289.34 g/mol
LogP-0.51
Rot. Bonds3

About 3-(3-hydroxyprop-1-ynyl)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-2-carboxamide

3-(3-hydroxyprop-1-ynyl)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-2-carboxamide (PubChem CID 107522794) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-(3-hydroxyprop-1-ynyl)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(3-hydroxyprop-1-ynyl)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-2-carboxamide
PubChem CID107522794
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name3-(3-hydroxyprop-1-ynyl)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-2-carboxamide
SMILESCN1CCOC(CNC(=O)c2ncccc2C#CCO)C1
InChIInChI=1S/C15H19N3O3/c1-18-7-9-21-13(11-18)10-17-15(20)14-12(5-3-8-19)4-2-6-16-14/h2,4,6,13,19H,7-11H2,1H3,(H,17,20)
InChIKeyYZKFOXCZZJQAJB-UHFFFAOYSA-N
XLogP-0.51
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 5-0.51
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-(3-hydroxyprop-1-ynyl)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-4-carboxamide
CID 79071328
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-2-carboxamide
CID 107521495
3-(3-hydroxyprop-1-ynyl)-N-[(4-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 107522403
3-(3-aminoprop-1-ynyl)-N-(oxan-2-ylmethyl)pyridine-2-carboxamide
CID 107524152
(3,4-dihydroxypyrrolidin-1-yl)-[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone
CID 107523358
N-(cyclopropylmethyl)-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 107520618
2-(4-bromophenoxy)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-carboxamide
CID 51133314
2-methyl-N-[(4-methylmorpholin-2-yl)methyl]-1H-imidazole-5-carboxamide
CID 136525043
4-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094811
N-[(4-methylmorpholin-2-yl)methyl]-2-phenylacetamide
CID 110710224
2,6-dimethoxy-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 110710223

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-2-carboxamide (CID 107522794) is 3-(3-hydroxyprop-1-ynyl)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-(3-hydroxyprop-1-ynyl)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 3-(3-hydroxyprop-1-ynyl)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-2-carboxamide is CN1CCOC(CNC(=O)c2ncccc2C#CCO)C1.
What is the InChIKey of 3-(3-hydroxyprop-1-ynyl)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-2-carboxamide?
The InChIKey is YZKFOXCZZJQAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-18-7-9-21-13(11-18)10-17-15(20)14-12(5-3-8-19)4-2-6-16-14/h2,4,6,13,19H,7-11H2,1H3,(H,17,20).
What are the key properties of 3-(3-hydroxyprop-1-ynyl)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-2-carboxamide?
3-(3-hydroxyprop-1-ynyl)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-2-carboxamide has a molecular weight of 289.34 g/mol, XLogP of -0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyprop-1-ynyl)-N-[(4-methylmorpholin-2-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 107522794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).