3-(4-aminobut-2-enyl)-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one

C14H21N3O2 — CID 57279382

IUPAC3-(4-aminobut-2-enyl)-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one
SMILESNCC=CCc1c(CN2CCOCC2)cc[nH]c1=O
InChIInChI=1S/C14H21N3O2/c15-5-2-1-3-13-12(4-6-16-14(13)18)11-17-7-9-19-10-8-17/h1-2,4,6H,3,5,7-11,15H2,(H,16,18)
InChIKeyPJUKIBIXNNKVAC-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.26
Rot. Bonds5

About 3-(4-aminobut-2-enyl)-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one

3-(4-aminobut-2-enyl)-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one (PubChem CID 57279382) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-(4-aminobut-2-enyl)-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(4-aminobut-2-enyl)-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one
PubChem CID57279382
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-(4-aminobut-2-enyl)-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one
SMILESNCC=CCc1c(CN2CCOCC2)cc[nH]c1=O
InChIInChI=1S/C14H21N3O2/c15-5-2-1-3-13-12(4-6-16-14(13)18)11-17-7-9-19-10-8-17/h1-2,4,6H,3,5,7-11,15H2,(H,16,18)
InChIKeyPJUKIBIXNNKVAC-UHFFFAOYSA-N
XLogP0.26
TPSA71.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-Hydroxy-N-(2-morpholinoethyl)nicotinamide
CID 28826303
6-Hydroxy-N-(3-morpholinopropyl)nicotinamide
CID 43091005
1-methyl-N-(3-morpholin-4-ylpropyl)-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 74239871
5-[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]-1H-pyridin-2-one
CID 93993081
5-(2-morpholin-4-ylethyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 172281793
5-(morpholine-4-carbonyl)-1H-pyridin-2-one
CID 28826269
4-morpholin-3-yl-1H-pyridin-2-one
CID 55282954
5-morpholin-3-yl-1H-pyridin-2-one
CID 55283439
3-(4-aminobutyl)-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one
CID 57052434
3-(4-aminobut-2-enyl)-4-(piperidin-1-ylmethyl)-1H-pyridin-2-one
CID 57246408
N-(2-morpholin-4-ylethyl)cyclohexa-1,5-diene-1-carboxamide
CID 67961870
3,5-dimethyl-4-morpholin-4-yl-1H-pyridin-2-one
CID 70465833

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminobut-2-enyl)-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one?
The IUPAC name of 3-(4-aminobut-2-enyl)-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one (CID 57279382) is 3-(4-aminobut-2-enyl)-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(4-aminobut-2-enyl)-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(4-aminobut-2-enyl)-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one is NCC=CCc1c(CN2CCOCC2)cc[nH]c1=O.
What is the InChIKey of 3-(4-aminobut-2-enyl)-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one?
The InChIKey is PJUKIBIXNNKVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-5-2-1-3-13-12(4-6-16-14(13)18)11-17-7-9-19-10-8-17/h1-2,4,6H,3,5,7-11,15H2,(H,16,18).
What are the key properties of 3-(4-aminobut-2-enyl)-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one?
3-(4-aminobut-2-enyl)-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one has a molecular weight of 263.34 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminobut-2-enyl)-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one is sourced from PubChem (CID 57279382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).