5-amino-1-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]pyridin-2-one

C14H23N3O2 — CID 55226806

IUPAC5-amino-1-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]pyridin-2-one
SMILESCN(CCn1cc(N)ccc1=O)CC1CCOCC1
InChIInChI=1S/C14H23N3O2/c1-16(10-12-4-8-19-9-5-12)6-7-17-11-13(15)2-3-14(17)18/h2-3,11-12H,4-10,15H2,1H3
InChIKeyHTHLCTNQVFLONW-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.79
Rot. Bonds5

About 5-amino-1-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]pyridin-2-one

5-amino-1-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]pyridin-2-one (PubChem CID 55226806) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-amino-1-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]pyridin-2-one
PubChem CID55226806
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name5-amino-1-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]pyridin-2-one
SMILESCN(CCn1cc(N)ccc1=O)CC1CCOCC1
InChIInChI=1S/C14H23N3O2/c1-16(10-12-4-8-19-9-5-12)6-7-17-11-13(15)2-3-14(17)18/h2-3,11-12H,4-10,15H2,1H3
InChIKeyHTHLCTNQVFLONW-UHFFFAOYSA-N
XLogP0.79
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]pyridin-2-one (CID 55226806) is 5-amino-1-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]pyridin-2-one is CN(CCn1cc(N)ccc1=O)CC1CCOCC1.
What is the InChIKey of 5-amino-1-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]pyridin-2-one?
The InChIKey is HTHLCTNQVFLONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-16(10-12-4-8-19-9-5-12)6-7-17-11-13(15)2-3-14(17)18/h2-3,11-12H,4-10,15H2,1H3.
What are the key properties of 5-amino-1-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]pyridin-2-one?
5-amino-1-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]pyridin-2-one has a molecular weight of 265.36 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]pyridin-2-one is sourced from PubChem (CID 55226806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).