[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-methoxypiperidin-1-yl)methanone

C15H19N3O2 — CID 107524914

IUPAC[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-methoxypiperidin-1-yl)methanone
SMILESCOC1CCCN(C(=O)c2ncccc2C#CCN)C1
InChIInChI=1S/C15H19N3O2/c1-20-13-7-4-10-18(11-13)15(19)14-12(5-2-8-16)6-3-9-17-14/h3,6,9,13H,4,7-8,10-11,16H2,1H3
InChIKeyDQGUYRYQXXNCFY-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.64
Rot. Bonds2

About [3-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-methoxypiperidin-1-yl)methanone

[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-methoxypiperidin-1-yl)methanone (PubChem CID 107524914) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is [3-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-methoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-methoxypiperidin-1-yl)methanone
PubChem CID107524914
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-methoxypiperidin-1-yl)methanone
SMILESCOC1CCCN(C(=O)c2ncccc2C#CCN)C1
InChIInChI=1S/C15H19N3O2/c1-20-13-7-4-10-18(11-13)15(19)14-12(5-2-8-16)6-3-9-17-14/h3,6,9,13H,4,7-8,10-11,16H2,1H3
InChIKeyDQGUYRYQXXNCFY-UHFFFAOYSA-N
XLogP0.64
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 107523740
[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-(4-methylazepan-1-yl)methanone
CID 107524415
[3-(3-aminoprop-1-ynyl)-4-pyridinyl]-(3-methoxypiperidin-1-yl)methanone
CID 102964074
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[3-(3-aminoprop-1-ynyl)-2-pyridinyl]methanone
CID 107524658
[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-(4,4-dimethylazepan-1-yl)methanone
CID 107524532
[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107524952
[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 107524939
[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone
CID 107523595
3-(3-aminoprop-1-ynyl)-N-cyclobutyl-N-methylpyridine-2-carboxamide
CID 107524822
(2-amino-3-pyridinyl)-(3-methoxypiperidin-1-yl)methanone
CID 102969309
1-[3-(3-aminoprop-1-ynyl)pyridine-2-carbonyl]-N-methylpyrrolidine-2-carboxamide
CID 107524071
[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-(1,3-dihydroisoindol-2-yl)methanone
CID 107524277

Frequently Asked Questions

What is the IUPAC name of [3-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-methoxypiperidin-1-yl)methanone?
The IUPAC name of [3-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-methoxypiperidin-1-yl)methanone (CID 107524914) is [3-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-methoxypiperidin-1-yl)methanone.
What is the SMILES notation for [3-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-methoxypiperidin-1-yl)methanone?
The canonical SMILES for [3-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-methoxypiperidin-1-yl)methanone is COC1CCCN(C(=O)c2ncccc2C#CCN)C1.
What is the InChIKey of [3-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-methoxypiperidin-1-yl)methanone?
The InChIKey is DQGUYRYQXXNCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-20-13-7-4-10-18(11-13)15(19)14-12(5-2-8-16)6-3-9-17-14/h3,6,9,13H,4,7-8,10-11,16H2,1H3.
What are the key properties of [3-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-methoxypiperidin-1-yl)methanone?
[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-methoxypiperidin-1-yl)methanone has a molecular weight of 273.34 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-methoxypiperidin-1-yl)methanone is sourced from PubChem (CID 107524914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).