1-methyl-4-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]pyridin-2-one

C14H21N3O2 — CID 53191779

IUPAC1-methyl-4-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]pyridin-2-one
SMILESCN(CC(=O)N1CCCC1)Cc1ccn(C)c(=O)c1
InChIInChI=1S/C14H21N3O2/c1-15(11-14(19)17-6-3-4-7-17)10-12-5-8-16(2)13(18)9-12/h5,8-9H,3-4,6-7,10-11H2,1-2H3
InChIKeyNXFBKTQHNCQDQU-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.44
Rot. Bonds4

About 1-methyl-4-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]pyridin-2-one

1-methyl-4-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]pyridin-2-one (PubChem CID 53191779) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-methyl-4-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-4-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]pyridin-2-one
PubChem CID53191779
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-methyl-4-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]pyridin-2-one
SMILESCN(CC(=O)N1CCCC1)Cc1ccn(C)c(=O)c1
InChIInChI=1S/C14H21N3O2/c1-15(11-14(19)17-6-3-4-7-17)10-12-5-8-16(2)13(18)9-12/h5,8-9H,3-4,6-7,10-11H2,1-2H3
InChIKeyNXFBKTQHNCQDQU-UHFFFAOYSA-N
XLogP0.44
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]pyridin-2-one?
The IUPAC name of 1-methyl-4-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]pyridin-2-one (CID 53191779) is 1-methyl-4-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-4-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]pyridin-2-one?
The canonical SMILES for 1-methyl-4-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]pyridin-2-one is CN(CC(=O)N1CCCC1)Cc1ccn(C)c(=O)c1.
What is the InChIKey of 1-methyl-4-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]pyridin-2-one?
The InChIKey is NXFBKTQHNCQDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-15(11-14(19)17-6-3-4-7-17)10-12-5-8-16(2)13(18)9-12/h5,8-9H,3-4,6-7,10-11H2,1-2H3.
What are the key properties of 1-methyl-4-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]pyridin-2-one?
1-methyl-4-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]pyridin-2-one has a molecular weight of 263.34 g/mol, XLogP of 0.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]pyridin-2-one is sourced from PubChem (CID 53191779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).