2-acetamido-N-methyl-2-[6-(oxan-4-yl)-2-pyridinyl]acetamide

C15H21N3O3 — CID 164604929

IUPAC2-acetamido-N-methyl-2-[6-(oxan-4-yl)-2-pyridinyl]acetamide
SMILESCNC(=O)C(NC(C)=O)c1cccc(C2CCOCC2)n1
InChIInChI=1S/C15H21N3O3/c1-10(19)17-14(15(20)16-2)13-5-3-4-12(18-13)11-6-8-21-9-7-11/h3-5,11,14H,6-9H2,1-2H3,(H,16,20)(H,17,19)
InChIKeyOYFIRUGAXLZQHG-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.90
Rot. Bonds4

About 2-acetamido-N-methyl-2-[6-(oxan-4-yl)-2-pyridinyl]acetamide

2-acetamido-N-methyl-2-[6-(oxan-4-yl)-2-pyridinyl]acetamide (PubChem CID 164604929) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-acetamido-N-methyl-2-[6-(oxan-4-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-acetamido-N-methyl-2-[6-(oxan-4-yl)-2-pyridinyl]acetamide
PubChem CID164604929
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-acetamido-N-methyl-2-[6-(oxan-4-yl)-2-pyridinyl]acetamide
SMILESCNC(=O)C(NC(C)=O)c1cccc(C2CCOCC2)n1
InChIInChI=1S/C15H21N3O3/c1-10(19)17-14(15(20)16-2)13-5-3-4-12(18-13)11-6-8-21-9-7-11/h3-5,11,14H,6-9H2,1-2H3,(H,16,20)(H,17,19)
InChIKeyOYFIRUGAXLZQHG-UHFFFAOYSA-N
XLogP0.90
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-methyl-2-[6-(oxan-4-yl)-2-pyridinyl]acetamide?
The IUPAC name of 2-acetamido-N-methyl-2-[6-(oxan-4-yl)-2-pyridinyl]acetamide (CID 164604929) is 2-acetamido-N-methyl-2-[6-(oxan-4-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-acetamido-N-methyl-2-[6-(oxan-4-yl)-2-pyridinyl]acetamide?
The canonical SMILES for 2-acetamido-N-methyl-2-[6-(oxan-4-yl)-2-pyridinyl]acetamide is CNC(=O)C(NC(C)=O)c1cccc(C2CCOCC2)n1.
What is the InChIKey of 2-acetamido-N-methyl-2-[6-(oxan-4-yl)-2-pyridinyl]acetamide?
The InChIKey is OYFIRUGAXLZQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10(19)17-14(15(20)16-2)13-5-3-4-12(18-13)11-6-8-21-9-7-11/h3-5,11,14H,6-9H2,1-2H3,(H,16,20)(H,17,19).
What are the key properties of 2-acetamido-N-methyl-2-[6-(oxan-4-yl)-2-pyridinyl]acetamide?
2-acetamido-N-methyl-2-[6-(oxan-4-yl)-2-pyridinyl]acetamide has a molecular weight of 291.35 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-methyl-2-[6-(oxan-4-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 164604929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).