2-(azetidin-3-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide

C12H17N3O — CID 81406682

IUPAC2-(azetidin-3-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide
SMILESC[C@H](NC(=O)CC1CNC1)c1ccccn1
InChIInChI=1S/C12H17N3O/c1-9(11-4-2-3-5-14-11)15-12(16)6-10-7-13-8-10/h2-5,9-10,13H,6-8H2,1H3,(H,15,16)/t9-/m0/s1
InChIKeyKWJLWMCSFIYQMD-VIFPVBQESA-N
MW219.29 g/mol
LogP0.87
Rot. Bonds4

About 2-(azetidin-3-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide

2-(azetidin-3-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide (PubChem CID 81406682) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide
PubChem CID81406682
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-(azetidin-3-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide
SMILESC[C@H](NC(=O)CC1CNC1)c1ccccn1
InChIInChI=1S/C12H17N3O/c1-9(11-4-2-3-5-14-11)15-12(16)6-10-7-13-8-10/h2-5,9-10,13H,6-8H2,1H3,(H,15,16)/t9-/m0/s1
InChIKeyKWJLWMCSFIYQMD-VIFPVBQESA-N
XLogP0.87
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-piperidin-4-yl-N-(1-pyridin-2-ylethyl)acetamide
CID 54910208
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
2-[1-(2-methylpropanoyl)piperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 92634096
2-[1-(2-phenylacetyl)piperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 92634093
2-(azetidin-3-yl)-N-(1-pyridin-4-ylethyl)acetamide
CID 64616162
2-(azetidin-3-yl)-N-[(1R)-1-pyridin-4-ylethyl]acetamide
CID 81409827
2-methoxy-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407538
2-bromo-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 81401514
2-(propan-2-ylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407440
2-piperazin-1-yl-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407274
2-(2-bicyclo[2.2.1]heptanyl)-N-(1-pyridin-2-ylethyl)acetamide
CID 42905846
2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 92634141

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide (CID 81406682) is 2-(azetidin-3-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide is C[C@H](NC(=O)CC1CNC1)c1ccccn1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide?
The InChIKey is KWJLWMCSFIYQMD-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17N3O/c1-9(11-4-2-3-5-14-11)15-12(16)6-10-7-13-8-10/h2-5,9-10,13H,6-8H2,1H3,(H,15,16)/t9-/m0/s1.
What are the key properties of 2-(azetidin-3-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide?
2-(azetidin-3-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide has a molecular weight of 219.29 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide is sourced from PubChem (CID 81406682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).