[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone

C14H17N3O3 — CID 107524854

IUPAC[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone
SMILESNCC#Cc1cccnc1C(=O)N1CCOCC1CO
InChIInChI=1S/C14H17N3O3/c15-5-1-3-11-4-2-6-16-13(11)14(19)17-7-8-20-10-12(17)9-18/h2,4,6,12,18H,5,7-10,15H2
InChIKeyWALIPFQXNYFRRH-UHFFFAOYSA-N
MW275.31 g/mol
LogP-0.77
Rot. Bonds2

About [3-(3-aminoprop-1-ynyl)-2-pyridinyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone

[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone (PubChem CID 107524854) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is [3-(3-aminoprop-1-ynyl)-2-pyridinyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone
PubChem CID107524854
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone
SMILESNCC#Cc1cccnc1C(=O)N1CCOCC1CO
InChIInChI=1S/C14H17N3O3/c15-5-1-3-11-4-2-6-16-13(11)14(19)17-7-8-20-10-12(17)9-18/h2,4,6,12,18H,5,7-10,15H2
InChIKeyWALIPFQXNYFRRH-UHFFFAOYSA-N
XLogP-0.77
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [3-(3-aminoprop-1-ynyl)-2-pyridinyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-ethylmorpholin-4-yl)-[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone
CID 107521157
[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 107523930
[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 107523740
[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 107524939
1-[3-(3-aminoprop-1-ynyl)pyridine-2-carbonyl]-N-methylpyrrolidine-2-carboxamide
CID 107524071
(2-ethylpiperidin-1-yl)-[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone
CID 107521415
[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone
CID 107523595
[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone
CID 107522288
3-[3-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]-2-pyridinyl]propanenitrile
CID 146567627
3-(3-aminoprop-1-ynyl)-N,N-bis(cyclopropylmethyl)pyridine-2-carboxamide
CID 107524467
[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 107524428
[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-(4-methylazepan-1-yl)methanone
CID 107524415

Frequently Asked Questions

What is the IUPAC name of [3-(3-aminoprop-1-ynyl)-2-pyridinyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone?
The IUPAC name of [3-(3-aminoprop-1-ynyl)-2-pyridinyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone (CID 107524854) is [3-(3-aminoprop-1-ynyl)-2-pyridinyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone.
What is the SMILES notation for [3-(3-aminoprop-1-ynyl)-2-pyridinyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone?
The canonical SMILES for [3-(3-aminoprop-1-ynyl)-2-pyridinyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone is NCC#Cc1cccnc1C(=O)N1CCOCC1CO.
What is the InChIKey of [3-(3-aminoprop-1-ynyl)-2-pyridinyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone?
The InChIKey is WALIPFQXNYFRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c15-5-1-3-11-4-2-6-16-13(11)14(19)17-7-8-20-10-12(17)9-18/h2,4,6,12,18H,5,7-10,15H2.
What are the key properties of [3-(3-aminoprop-1-ynyl)-2-pyridinyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone?
[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone has a molecular weight of 275.31 g/mol, XLogP of -0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-aminoprop-1-ynyl)-2-pyridinyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 107524854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).