2-(azetidin-3-yl)-N-(1-pyridin-4-ylethyl)acetamide

C12H17N3O — CID 64616162

IUPAC2-(azetidin-3-yl)-N-(1-pyridin-4-ylethyl)acetamide
SMILESCC(NC(=O)CC1CNC1)c1ccncc1
InChIInChI=1S/C12H17N3O/c1-9(11-2-4-13-5-3-11)15-12(16)6-10-7-14-8-10/h2-5,9-10,14H,6-8H2,1H3,(H,15,16)
InChIKeyQPENARBSJVYJSI-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.87
Rot. Bonds4

About 2-(azetidin-3-yl)-N-(1-pyridin-4-ylethyl)acetamide

2-(azetidin-3-yl)-N-(1-pyridin-4-ylethyl)acetamide (PubChem CID 64616162) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(1-pyridin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(1-pyridin-4-ylethyl)acetamide
PubChem CID64616162
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-(azetidin-3-yl)-N-(1-pyridin-4-ylethyl)acetamide
SMILESCC(NC(=O)CC1CNC1)c1ccncc1
InChIInChI=1S/C12H17N3O/c1-9(11-2-4-13-5-3-11)15-12(16)6-10-7-14-8-10/h2-5,9-10,14H,6-8H2,1H3,(H,15,16)
InChIKeyQPENARBSJVYJSI-UHFFFAOYSA-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-(azetidin-3-yl)-N-[(1R)-1-pyridin-4-ylethyl]acetamide
CID 81409827
2-(azetidin-3-yl)-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 66196031
2-cyclohexyl-N-[2-oxo-2-[[(1R)-1-pyridin-4-ylethyl]amino]ethyl]acetamide
CID 95282016
N-[(1R)-1-pyridin-4-ylethyl]azetidine-3-carboxamide
CID 81409992
2-(azetidin-3-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 81406682
3-piperidin-4-yl-N-[(1S)-1-pyridin-4-ylethyl]propanamide
CID 81409978
2-(2,3-dihydro-1H-indol-3-yl)-N-(1-pyridin-4-ylethyl)acetamide
CID 80571900
2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 34760296
N-[(1R)-1-phenylethyl]-2-piperidin-3-ylacetamide
CID 78953201
2-(methylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 81409723
2-(azetidin-3-yl)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 81399568
N-[(1S)-1-(4-methylphenyl)ethyl]-2-piperidin-3-ylacetamide
CID 81356926

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(1-pyridin-4-ylethyl)acetamide?
The IUPAC name of 2-(azetidin-3-yl)-N-(1-pyridin-4-ylethyl)acetamide (CID 64616162) is 2-(azetidin-3-yl)-N-(1-pyridin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(1-pyridin-4-ylethyl)acetamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-(1-pyridin-4-ylethyl)acetamide is CC(NC(=O)CC1CNC1)c1ccncc1.
What is the InChIKey of 2-(azetidin-3-yl)-N-(1-pyridin-4-ylethyl)acetamide?
The InChIKey is QPENARBSJVYJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9(11-2-4-13-5-3-11)15-12(16)6-10-7-14-8-10/h2-5,9-10,14H,6-8H2,1H3,(H,15,16).
What are the key properties of 2-(azetidin-3-yl)-N-(1-pyridin-4-ylethyl)acetamide?
2-(azetidin-3-yl)-N-(1-pyridin-4-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-(1-pyridin-4-ylethyl)acetamide is sourced from PubChem (CID 64616162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).