N-methyl-4-[6-(3-methylazetidin-1-yl)-3-pyridinyl]-5-oxopentanamide

C15H21N3O2 — CID 166112823

IUPACN-methyl-4-[6-(3-methylazetidin-1-yl)-3-pyridinyl]-5-oxopentanamide
SMILESCNC(=O)CCC(C=O)c1ccc(N2CC(C)C2)nc1
InChIInChI=1S/C15H21N3O2/c1-11-8-18(9-11)14-5-3-12(7-17-14)13(10-19)4-6-15(20)16-2/h3,5,7,10-11,13H,4,6,8-9H2,1-2H3,(H,16,20)
InChIKeyCGDKRNJISYMCBC-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.35
Rot. Bonds6

About N-methyl-4-[6-(3-methylazetidin-1-yl)-3-pyridinyl]-5-oxopentanamide

N-methyl-4-[6-(3-methylazetidin-1-yl)-3-pyridinyl]-5-oxopentanamide (PubChem CID 166112823) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-methyl-4-[6-(3-methylazetidin-1-yl)-3-pyridinyl]-5-oxopentanamide.

Molecular Properties

Compound NameN-methyl-4-[6-(3-methylazetidin-1-yl)-3-pyridinyl]-5-oxopentanamide
PubChem CID166112823
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-methyl-4-[6-(3-methylazetidin-1-yl)-3-pyridinyl]-5-oxopentanamide
SMILESCNC(=O)CCC(C=O)c1ccc(N2CC(C)C2)nc1
InChIInChI=1S/C15H21N3O2/c1-11-8-18(9-11)14-5-3-12(7-17-14)13(10-19)4-6-15(20)16-2/h3,5,7,10-11,13H,4,6,8-9H2,1-2H3,(H,16,20)
InChIKeyCGDKRNJISYMCBC-UHFFFAOYSA-N
XLogP1.35
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[6-(3-methylazetidin-1-yl)-3-pyridinyl]-5-oxopentanamide?
The IUPAC name of N-methyl-4-[6-(3-methylazetidin-1-yl)-3-pyridinyl]-5-oxopentanamide (CID 166112823) is N-methyl-4-[6-(3-methylazetidin-1-yl)-3-pyridinyl]-5-oxopentanamide.
What is the SMILES notation for N-methyl-4-[6-(3-methylazetidin-1-yl)-3-pyridinyl]-5-oxopentanamide?
The canonical SMILES for N-methyl-4-[6-(3-methylazetidin-1-yl)-3-pyridinyl]-5-oxopentanamide is CNC(=O)CCC(C=O)c1ccc(N2CC(C)C2)nc1.
What is the InChIKey of N-methyl-4-[6-(3-methylazetidin-1-yl)-3-pyridinyl]-5-oxopentanamide?
The InChIKey is CGDKRNJISYMCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11-8-18(9-11)14-5-3-12(7-17-14)13(10-19)4-6-15(20)16-2/h3,5,7,10-11,13H,4,6,8-9H2,1-2H3,(H,16,20).
What are the key properties of N-methyl-4-[6-(3-methylazetidin-1-yl)-3-pyridinyl]-5-oxopentanamide?
N-methyl-4-[6-(3-methylazetidin-1-yl)-3-pyridinyl]-5-oxopentanamide has a molecular weight of 275.35 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[6-(3-methylazetidin-1-yl)-3-pyridinyl]-5-oxopentanamide is sourced from PubChem (CID 166112823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).