[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-(5-ethyl-2-methylmorpholin-4-yl)methanone

C16H21N3O2 — CID 107523930

IUPAC[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-(5-ethyl-2-methylmorpholin-4-yl)methanone
SMILESCCC1COC(C)CN1C(=O)c1ncccc1C#CCN
InChIInChI=1S/C16H21N3O2/c1-3-14-11-21-12(2)10-19(14)16(20)15-13(6-4-8-17)7-5-9-18-15/h5,7,9,12,14H,3,8,10-11,17H2,1-2H3
InChIKeyJONCAQZHIFSVEX-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.03
Rot. Bonds2

About [3-(3-aminoprop-1-ynyl)-2-pyridinyl]-(5-ethyl-2-methylmorpholin-4-yl)methanone

[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-(5-ethyl-2-methylmorpholin-4-yl)methanone (PubChem CID 107523930) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is [3-(3-aminoprop-1-ynyl)-2-pyridinyl]-(5-ethyl-2-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-(5-ethyl-2-methylmorpholin-4-yl)methanone
PubChem CID107523930
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-(5-ethyl-2-methylmorpholin-4-yl)methanone
SMILESCCC1COC(C)CN1C(=O)c1ncccc1C#CCN
InChIInChI=1S/C16H21N3O2/c1-3-14-11-21-12(2)10-19(14)16(20)15-13(6-4-8-17)7-5-9-18-15/h5,7,9,12,14H,3,8,10-11,17H2,1-2H3
InChIKeyJONCAQZHIFSVEX-UHFFFAOYSA-N
XLogP1.03
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
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

2-(5-ethyl-2-methylmorpholine-4-carbonyl)pyridine-3-carboxylic acid
CID 63614082
[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 107524854
(2-chloro-3-pyridinyl)-[(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]methanone
CID 93417513
(3-ethylmorpholin-4-yl)-[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone
CID 107521157
[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone
CID 107523595
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-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 107524939
[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-(4-methylazepan-1-yl)methanone
CID 107524415
1-[3-(3-aminoprop-1-ynyl)pyridine-2-carbonyl]-N-methylpyrrolidine-2-carboxamide
CID 107524071
(4-chloro-2-pyridinyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 60656502
(2-ethylpiperidin-1-yl)-[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone
CID 107521415
[(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]-phenylmethanone
CID 95358527

Frequently Asked Questions

What is the IUPAC name of [3-(3-aminoprop-1-ynyl)-2-pyridinyl]-(5-ethyl-2-methylmorpholin-4-yl)methanone?
The IUPAC name of [3-(3-aminoprop-1-ynyl)-2-pyridinyl]-(5-ethyl-2-methylmorpholin-4-yl)methanone (CID 107523930) is [3-(3-aminoprop-1-ynyl)-2-pyridinyl]-(5-ethyl-2-methylmorpholin-4-yl)methanone.
What is the SMILES notation for [3-(3-aminoprop-1-ynyl)-2-pyridinyl]-(5-ethyl-2-methylmorpholin-4-yl)methanone?
The canonical SMILES for [3-(3-aminoprop-1-ynyl)-2-pyridinyl]-(5-ethyl-2-methylmorpholin-4-yl)methanone is CCC1COC(C)CN1C(=O)c1ncccc1C#CCN.
What is the InChIKey of [3-(3-aminoprop-1-ynyl)-2-pyridinyl]-(5-ethyl-2-methylmorpholin-4-yl)methanone?
The InChIKey is JONCAQZHIFSVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-14-11-21-12(2)10-19(14)16(20)15-13(6-4-8-17)7-5-9-18-15/h5,7,9,12,14H,3,8,10-11,17H2,1-2H3.
What are the key properties of [3-(3-aminoprop-1-ynyl)-2-pyridinyl]-(5-ethyl-2-methylmorpholin-4-yl)methanone?
[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-(5-ethyl-2-methylmorpholin-4-yl)methanone has a molecular weight of 287.36 g/mol, XLogP of 1.03, 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]-(5-ethyl-2-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 107523930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).