5-[[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]methyl]-1-(2-methoxyethyl)pyridin-2-one

C18H29N3O3 — CID 53191689

IUPAC5-[[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]methyl]-1-(2-methoxyethyl)pyridin-2-one
SMILESCOCCn1cc(CN(C)CC(=O)N2CCCCCC2)ccc1=O
InChIInChI=1S/C18H29N3O3/c1-19(15-18(23)20-9-5-3-4-6-10-20)13-16-7-8-17(22)21(14-16)11-12-24-2/h7-8,14H,3-6,9-13,15H2,1-2H3
InChIKeyLFULPJPPNFULCU-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.33
Rot. Bonds7

About 5-[[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]methyl]-1-(2-methoxyethyl)pyridin-2-one

5-[[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]methyl]-1-(2-methoxyethyl)pyridin-2-one (PubChem CID 53191689) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 5-[[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]methyl]-1-(2-methoxyethyl)pyridin-2-one.

Molecular Properties

Compound Name5-[[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]methyl]-1-(2-methoxyethyl)pyridin-2-one
PubChem CID53191689
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name5-[[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]methyl]-1-(2-methoxyethyl)pyridin-2-one
SMILESCOCCn1cc(CN(C)CC(=O)N2CCCCCC2)ccc1=O
InChIInChI=1S/C18H29N3O3/c1-19(15-18(23)20-9-5-3-4-6-10-20)13-16-7-8-17(22)21(14-16)11-12-24-2/h7-8,14H,3-6,9-13,15H2,1-2H3
InChIKeyLFULPJPPNFULCU-UHFFFAOYSA-N
XLogP1.33
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]methyl]-1-(2-methoxyethyl)pyridin-2-one?
The IUPAC name of 5-[[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]methyl]-1-(2-methoxyethyl)pyridin-2-one (CID 53191689) is 5-[[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]methyl]-1-(2-methoxyethyl)pyridin-2-one.
What is the SMILES notation for 5-[[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]methyl]-1-(2-methoxyethyl)pyridin-2-one?
The canonical SMILES for 5-[[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]methyl]-1-(2-methoxyethyl)pyridin-2-one is COCCn1cc(CN(C)CC(=O)N2CCCCCC2)ccc1=O.
What is the InChIKey of 5-[[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]methyl]-1-(2-methoxyethyl)pyridin-2-one?
The InChIKey is LFULPJPPNFULCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-19(15-18(23)20-9-5-3-4-6-10-20)13-16-7-8-17(22)21(14-16)11-12-24-2/h7-8,14H,3-6,9-13,15H2,1-2H3.
What are the key properties of 5-[[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]methyl]-1-(2-methoxyethyl)pyridin-2-one?
5-[[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]methyl]-1-(2-methoxyethyl)pyridin-2-one has a molecular weight of 335.45 g/mol, XLogP of 1.33, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]methyl]-1-(2-methoxyethyl)pyridin-2-one is sourced from PubChem (CID 53191689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).