[5-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-ethoxypiperidin-1-yl)methanone

C16H21N3O2 — CID 62954015

IUPAC[5-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-ethoxypiperidin-1-yl)methanone
SMILESCCOC1CCCN(C(=O)c2ccc(C#CCN)cn2)C1
InChIInChI=1S/C16H21N3O2/c1-2-21-14-6-4-10-19(12-14)16(20)15-8-7-13(11-18-15)5-3-9-17/h7-8,11,14H,2,4,6,9-10,12,17H2,1H3
InChIKeyJJZTUORDTWSKLM-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.03
Rot. Bonds3

About [5-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-ethoxypiperidin-1-yl)methanone

[5-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-ethoxypiperidin-1-yl)methanone (PubChem CID 62954015) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is [5-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-ethoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-ethoxypiperidin-1-yl)methanone
PubChem CID62954015
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name[5-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-ethoxypiperidin-1-yl)methanone
SMILESCCOC1CCCN(C(=O)c2ccc(C#CCN)cn2)C1
InChIInChI=1S/C16H21N3O2/c1-2-21-14-6-4-10-19(12-14)16(20)15-8-7-13(11-18-15)5-3-9-17/h7-8,11,14H,2,4,6,9-10,12,17H2,1H3
InChIKeyJJZTUORDTWSKLM-UHFFFAOYSA-N
XLogP1.03
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.03
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

[5-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
CID 62954356
[5-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-(3-methoxypiperidin-1-yl)methanone
CID 102964022
[5-(3-aminoprop-1-ynyl)-2-pyridinyl]-(4-methylazepan-1-yl)methanone
CID 63625309
6-(3-ethoxypiperidine-1-carbonyl)pyridine-3-carbothioamide
CID 63748489
[5-(3-aminoprop-1-ynyl)-2-pyridinyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 104959900
[5-(3-aminoprop-1-ynyl)-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone
CID 62960500
[5-(3-aminoprop-1-ynyl)-2-pyridinyl]-(7,7-dimethyl-1,4-thiazepan-4-yl)methanone
CID 107458089
[1-(2-aminoethyl)imidazol-4-yl]-(3-ethoxypiperidin-1-yl)methanone
CID 107497963
6-(3-propoxypiperidine-1-carbonyl)pyridine-3-carbothioamide
CID 63748316
[5-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-(4-methylazepan-1-yl)methanone
CID 63627770
(3-ethoxypiperidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
CID 107375356
[4-(aminomethyl)phenyl]-(3-ethoxypiperidin-1-yl)methanone
CID 54985369

Frequently Asked Questions

What is the IUPAC name of [5-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-ethoxypiperidin-1-yl)methanone?
The IUPAC name of [5-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-ethoxypiperidin-1-yl)methanone (CID 62954015) is [5-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-ethoxypiperidin-1-yl)methanone.
What is the SMILES notation for [5-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-ethoxypiperidin-1-yl)methanone?
The canonical SMILES for [5-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-ethoxypiperidin-1-yl)methanone is CCOC1CCCN(C(=O)c2ccc(C#CCN)cn2)C1.
What is the InChIKey of [5-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-ethoxypiperidin-1-yl)methanone?
The InChIKey is JJZTUORDTWSKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-21-14-6-4-10-19(12-14)16(20)15-8-7-13(11-18-15)5-3-9-17/h7-8,11,14H,2,4,6,9-10,12,17H2,1H3.
What are the key properties of [5-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-ethoxypiperidin-1-yl)methanone?
[5-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-ethoxypiperidin-1-yl)methanone has a molecular weight of 287.36 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-ethoxypiperidin-1-yl)methanone is sourced from PubChem (CID 62954015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).