2-(azetidin-3-ylidene)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide

C15H21N3O2 — CID 116676715

IUPAC2-(azetidin-3-ylidene)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide
SMILESCOCCN(Cc1ccccn1)C(=O)C(C)=C1CNC1
InChIInChI=1S/C15H21N3O2/c1-12(13-9-16-10-13)15(19)18(7-8-20-2)11-14-5-3-4-6-17-14/h3-6,16H,7-11H2,1-2H3
InChIKeyHHQGGTUHMSOKMI-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.98
Rot. Bonds6

About 2-(azetidin-3-ylidene)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide

2-(azetidin-3-ylidene)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 116676715) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide
PubChem CID116676715
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-(azetidin-3-ylidene)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide
SMILESCOCCN(Cc1ccccn1)C(=O)C(C)=C1CNC1
InChIInChI=1S/C15H21N3O2/c1-12(13-9-16-10-13)15(19)18(7-8-20-2)11-14-5-3-4-6-17-14/h3-6,16H,7-11H2,1-2H3
InChIKeyHHQGGTUHMSOKMI-UHFFFAOYSA-N
XLogP0.98
TPSA54.46 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 ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[2-methoxyethyl(pyridin-2-ylmethyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76993144
N-(2-methoxyethyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 61242497
2-(azetidin-3-ylidene)-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 116676557
2,2-difluoro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 103515208
N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide
CID 61242673
N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 60952650
N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 61242674
2-(ethylamino)-N-(2-methoxyethyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 62836098
2-amino-N-(2-methoxyethyl)-2-methyl-N-(pyridin-2-ylmethyl)pentanamide
CID 60953687
3-(tert-butylamino)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide
CID 60953797
5-bromo-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 61074717
2-amino-N-[2-[2-methoxyethyl(pyridin-2-ylmethyl)amino]-2-oxoethyl]acetamide
CID 60954047

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide (CID 116676715) is 2-(azetidin-3-ylidene)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide is COCCN(Cc1ccccn1)C(=O)C(C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is HHQGGTUHMSOKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-12(13-9-16-10-13)15(19)18(7-8-20-2)11-14-5-3-4-6-17-14/h3-6,16H,7-11H2,1-2H3.
What are the key properties of 2-(azetidin-3-ylidene)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide?
2-(azetidin-3-ylidene)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 275.35 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 116676715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).