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

C14H23N3O2 — CID 57052434

IUPAC3-(4-aminobutyl)-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one
SMILESNCCCCc1c(CN2CCOCC2)cc[nH]c1=O
InChIInChI=1S/C14H23N3O2/c15-5-2-1-3-13-12(4-6-16-14(13)18)11-17-7-9-19-10-8-17/h4,6H,1-3,5,7-11,15H2,(H,16,18)
InChIKeyAZPYCWLHVKDRQG-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.49
Rot. Bonds6

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

3-(4-aminobutyl)-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one (PubChem CID 57052434) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-(4-aminobutyl)-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(4-aminobutyl)-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one
PubChem CID57052434
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-(4-aminobutyl)-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one
SMILESNCCCCc1c(CN2CCOCC2)cc[nH]c1=O
InChIInChI=1S/C14H23N3O2/c15-5-2-1-3-13-12(4-6-16-14(13)18)11-17-7-9-19-10-8-17/h4,6H,1-3,5,7-11,15H2,(H,16,18)
InChIKeyAZPYCWLHVKDRQG-UHFFFAOYSA-N
XLogP0.49
TPSA71.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-aminobutyl)-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one?
The IUPAC name of 3-(4-aminobutyl)-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one (CID 57052434) is 3-(4-aminobutyl)-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(4-aminobutyl)-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(4-aminobutyl)-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one is NCCCCc1c(CN2CCOCC2)cc[nH]c1=O.
What is the InChIKey of 3-(4-aminobutyl)-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one?
The InChIKey is AZPYCWLHVKDRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c15-5-2-1-3-13-12(4-6-16-14(13)18)11-17-7-9-19-10-8-17/h4,6H,1-3,5,7-11,15H2,(H,16,18).
What are the key properties of 3-(4-aminobutyl)-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one?
3-(4-aminobutyl)-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one has a molecular weight of 265.36 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminobutyl)-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one is sourced from PubChem (CID 57052434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).