4-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]morpholine-3,5-dione

C12H11N3O3 — CID 61329379

IUPAC4-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]morpholine-3,5-dione
SMILESNCC#Cc1cccc(N2C(=O)COCC2=O)n1
InChIInChI=1S/C12H11N3O3/c13-6-2-4-9-3-1-5-10(14-9)15-11(16)7-18-8-12(15)17/h1,3,5H,6-8,13H2
InChIKeyAPJBFEPORMUPPP-UHFFFAOYSA-N
MW245.24 g/mol
LogP-0.72
Rot. Bonds1

About 4-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]morpholine-3,5-dione

4-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]morpholine-3,5-dione (PubChem CID 61329379) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 4-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]morpholine-3,5-dione.

Molecular Properties

Compound Name4-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]morpholine-3,5-dione
PubChem CID61329379
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name4-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]morpholine-3,5-dione
SMILESNCC#Cc1cccc(N2C(=O)COCC2=O)n1
InChIInChI=1S/C12H11N3O3/c13-6-2-4-9-3-1-5-10(14-9)15-11(16)7-18-8-12(15)17/h1,3,5H,6-8,13H2
InChIKeyAPJBFEPORMUPPP-UHFFFAOYSA-N
XLogP-0.72
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]morpholine-3,5-dione 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

N-(6-methyl-2-pyridinyl)-4-morpholin-4-yl-4-oxobutanamide
CID 25162582
N-[2-[1-(6-Methyl-2-pyridinyl)-4-piperidinyl]ethyl]carbamic acid 2-(methylamino)-2-oxoethyl ester
CID 9840648
(6-(Morpholin-4-yl)pyridin-2-yl)methanamine
CID 18525737
1-(6-(Morpholin-4-yl)pyridin-2-yl)methanamine dihydrochloride
CID 154814288
4-Pyridin-2-ylmorpholin-3-one
CID 69768591
2-[(4-hydroxy-2-methylpyridin-3-yl)oxy]-N-(6-methylpyridin-2-yl)acetamide
CID 49654798
N-(4,6-dimethyl-2-pyridinyl)-4-methylmorpholine-2-carboxamide
CID 75386462
1-(2-Methoxyethyl)-1-methyl-3-(6-methyl-2-pyridinyl)urea
CID 75484739
4-(6-Isocyanatopyridin-2-yl)morpholine
CID 18525736
N-[4-[[5-fluoro-6-[6-(3-oxomorpholin-4-yl)-2-pyridinyl]-1,2-dihydropyrimidin-2-yl]amino]cyclohexyl]acetamide
CID 172590704
[2-[(6-Methyl-5-piperazin-1-yl-2-pyridinyl)amino]-2-oxoethyl] 2,2,2-trifluoroacetate
CID 174227001
2-methoxy-N-{6-[(methoxyacetyl)amino]-2-pyridinyl}acetamide
CID 836827

Frequently Asked Questions

What is the IUPAC name of 4-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]morpholine-3,5-dione?
The IUPAC name of 4-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]morpholine-3,5-dione (CID 61329379) is 4-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]morpholine-3,5-dione.
What is the SMILES notation for 4-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]morpholine-3,5-dione?
The canonical SMILES for 4-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]morpholine-3,5-dione is NCC#Cc1cccc(N2C(=O)COCC2=O)n1.
What is the InChIKey of 4-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]morpholine-3,5-dione?
The InChIKey is APJBFEPORMUPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c13-6-2-4-9-3-1-5-10(14-9)15-11(16)7-18-8-12(15)17/h1,3,5H,6-8,13H2.
What are the key properties of 4-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]morpholine-3,5-dione?
4-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]morpholine-3,5-dione has a molecular weight of 245.24 g/mol, XLogP of -0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]morpholine-3,5-dione is sourced from PubChem (CID 61329379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).