4-methyl-1-[2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]pyridin-2-one

C15H21N3O2 — CID 126825223

IUPAC4-methyl-1-[2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]pyridin-2-one
SMILESCc1ccn(CC(=O)N2C3CCC2CN(C)C3)c(=O)c1
InChIInChI=1S/C15H21N3O2/c1-11-5-6-17(14(19)7-11)10-15(20)18-12-3-4-13(18)9-16(2)8-12/h5-7,12-13H,3-4,8-10H2,1-2H3
InChIKeyPLUVAJRRVJWANZ-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.46
Rot. Bonds2

About 4-methyl-1-[2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]pyridin-2-one

4-methyl-1-[2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]pyridin-2-one (PubChem CID 126825223) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-methyl-1-[2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name4-methyl-1-[2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]pyridin-2-one
PubChem CID126825223
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name4-methyl-1-[2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]pyridin-2-one
SMILESCc1ccn(CC(=O)N2C3CCC2CN(C)C3)c(=O)c1
InChIInChI=1S/C15H21N3O2/c1-11-5-6-17(14(19)7-11)10-15(20)18-12-3-4-13(18)9-16(2)8-12/h5-7,12-13H,3-4,8-10H2,1-2H3
InChIKeyPLUVAJRRVJWANZ-UHFFFAOYSA-N
XLogP0.46
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]pyridin-2-one?
The IUPAC name of 4-methyl-1-[2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]pyridin-2-one (CID 126825223) is 4-methyl-1-[2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 4-methyl-1-[2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 4-methyl-1-[2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]pyridin-2-one is Cc1ccn(CC(=O)N2C3CCC2CN(C)C3)c(=O)c1.
What is the InChIKey of 4-methyl-1-[2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]pyridin-2-one?
The InChIKey is PLUVAJRRVJWANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11-5-6-17(14(19)7-11)10-15(20)18-12-3-4-13(18)9-16(2)8-12/h5-7,12-13H,3-4,8-10H2,1-2H3.
What are the key properties of 4-methyl-1-[2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]pyridin-2-one?
4-methyl-1-[2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]pyridin-2-one has a molecular weight of 275.35 g/mol, XLogP of 0.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 126825223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).