4-[[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]methyl]-1H-pyridin-2-one

C15H23N3O2 — CID 53191815

IUPAC4-[[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]methyl]-1H-pyridin-2-one
SMILESCN(CC(=O)N1CCCCCC1)Cc1cc[nH]c(=O)c1
InChIInChI=1S/C15H23N3O2/c1-17(11-13-6-7-16-14(19)10-13)12-15(20)18-8-4-2-3-5-9-18/h6-7,10H,2-5,8-9,11-12H2,1H3,(H,16,19)
InChIKeyLZIGCHZBSULGDF-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.21
Rot. Bonds4

About 4-[[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]methyl]-1H-pyridin-2-one

4-[[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]methyl]-1H-pyridin-2-one (PubChem CID 53191815) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-[[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]methyl]-1H-pyridin-2-one
PubChem CID53191815
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-[[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]methyl]-1H-pyridin-2-one
SMILESCN(CC(=O)N1CCCCCC1)Cc1cc[nH]c(=O)c1
InChIInChI=1S/C15H23N3O2/c1-17(11-13-6-7-16-14(19)10-13)12-15(20)18-8-4-2-3-5-9-18/h6-7,10H,2-5,8-9,11-12H2,1H3,(H,16,19)
InChIKeyLZIGCHZBSULGDF-UHFFFAOYSA-N
XLogP1.21
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]methyl]-1H-pyridin-2-one?
The IUPAC name of 4-[[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]methyl]-1H-pyridin-2-one (CID 53191815) is 4-[[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]methyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]methyl]-1H-pyridin-2-one is CN(CC(=O)N1CCCCCC1)Cc1cc[nH]c(=O)c1.
What is the InChIKey of 4-[[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]methyl]-1H-pyridin-2-one?
The InChIKey is LZIGCHZBSULGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-17(11-13-6-7-16-14(19)10-13)12-15(20)18-8-4-2-3-5-9-18/h6-7,10H,2-5,8-9,11-12H2,1H3,(H,16,19).
What are the key properties of 4-[[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]methyl]-1H-pyridin-2-one?
4-[[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]methyl]-1H-pyridin-2-one has a molecular weight of 277.37 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 53191815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).