2-(azetidin-3-yl)-N-[(2-methoxy-3-pyridinyl)methyl]propanamide

C13H19N3O2 — CID 116675894

IUPAC2-(azetidin-3-yl)-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
SMILESCOc1ncccc1CNC(=O)C(C)C1CNC1
InChIInChI=1S/C13H19N3O2/c1-9(11-6-14-7-11)12(17)16-8-10-4-3-5-15-13(10)18-2/h3-5,9,11,14H,6-8H2,1-2H3,(H,16,17)
InChIKeyROUYXBKTYGMAGV-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.56
Rot. Bonds5

About 2-(azetidin-3-yl)-N-[(2-methoxy-3-pyridinyl)methyl]propanamide

2-(azetidin-3-yl)-N-[(2-methoxy-3-pyridinyl)methyl]propanamide (PubChem CID 116675894) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[(2-methoxy-3-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
PubChem CID116675894
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-(azetidin-3-yl)-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
SMILESCOc1ncccc1CNC(=O)C(C)C1CNC1
InChIInChI=1S/C13H19N3O2/c1-9(11-6-14-7-11)12(17)16-8-10-4-3-5-15-13(10)18-2/h3-5,9,11,14H,6-8H2,1-2H3,(H,16,17)
InChIKeyROUYXBKTYGMAGV-UHFFFAOYSA-N
XLogP0.56
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxy-3-pyridinyl)methyl]-3-piperidin-3-ylbutanamide
CID 81049427
3-[(2-methoxy-3-pyridinyl)methylamino]-2-methyl-3-oxopropanoic acid
CID 114898125
(2R)-2-amino-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutanamide
CID 79012949
N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 79196113
2-ethoxy-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 47035760
(3S)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 81124657
(2S)-2-butoxy-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 94795520
(2R)-2-butoxy-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 94795522
2-amino-N-[(2-methoxy-3-pyridinyl)methyl]butanediamide
CID 54927008
1-[(2-methoxy-3-pyridinyl)methyl]-3-(3-methylbutyl)urea
CID 47164188
(2R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 37247400
2-(azetidin-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]propanamide
CID 116677047

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[(2-methoxy-3-pyridinyl)methyl]propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[(2-methoxy-3-pyridinyl)methyl]propanamide (CID 116675894) is 2-(azetidin-3-yl)-N-[(2-methoxy-3-pyridinyl)methyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[(2-methoxy-3-pyridinyl)methyl]propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[(2-methoxy-3-pyridinyl)methyl]propanamide is COc1ncccc1CNC(=O)C(C)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[(2-methoxy-3-pyridinyl)methyl]propanamide?
The InChIKey is ROUYXBKTYGMAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9(11-6-14-7-11)12(17)16-8-10-4-3-5-15-13(10)18-2/h3-5,9,11,14H,6-8H2,1-2H3,(H,16,17).
What are the key properties of 2-(azetidin-3-yl)-N-[(2-methoxy-3-pyridinyl)methyl]propanamide?
2-(azetidin-3-yl)-N-[(2-methoxy-3-pyridinyl)methyl]propanamide has a molecular weight of 249.31 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-[(2-methoxy-3-pyridinyl)methyl]propanamide is sourced from PubChem (CID 116675894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).