2-(azetidin-3-yl)-N-ethyl-N-pyridin-4-ylacetamide

C12H17N3O — CID 106935438

IUPAC2-(azetidin-3-yl)-N-ethyl-N-pyridin-4-ylacetamide
SMILESCCN(C(=O)CC1CNC1)c1ccncc1
InChIInChI=1S/C12H17N3O/c1-2-15(11-3-5-13-6-4-11)12(16)7-10-8-14-9-10/h3-6,10,14H,2,7-9H2,1H3
InChIKeyQQPUNYHYPCLSEG-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.04
Rot. Bonds4

About 2-(azetidin-3-yl)-N-ethyl-N-pyridin-4-ylacetamide

2-(azetidin-3-yl)-N-ethyl-N-pyridin-4-ylacetamide (PubChem CID 106935438) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-ethyl-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-ethyl-N-pyridin-4-ylacetamide
PubChem CID106935438
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-(azetidin-3-yl)-N-ethyl-N-pyridin-4-ylacetamide
SMILESCCN(C(=O)CC1CNC1)c1ccncc1
InChIInChI=1S/C12H17N3O/c1-2-15(11-3-5-13-6-4-11)12(16)7-10-8-14-9-10/h3-6,10,14H,2,7-9H2,1H3
InChIKeyQQPUNYHYPCLSEG-UHFFFAOYSA-N
XLogP1.04
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-ethyl-N-pyridin-4-ylpropanamide
CID 106934758
N-ethyl-N-(4-fluorophenyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119690587
N,4-diethyl-N-pyridin-4-ylpiperidine-4-carboxamide
CID 106935306
N-ethyl-N-pyridin-4-yl-2-(2,2,2-trifluoroethylamino)acetamide
CID 113238508
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-phenylacetamide
CID 79607499
2-(azetidin-3-yl)-N-(1-pyridin-4-ylethyl)acetamide
CID 64616162
2-(N-[2-(azetidin-3-yl)acetyl]-4-chloroanilino)acetic acid
CID 64611610
2-(azetidin-3-yl)-N-[(1R)-1-pyridin-4-ylethyl]acetamide
CID 81409827
N-ethyl-N-pyridin-4-yl-2,3-dihydro-1H-indole-3-carboxamide
CID 106935509
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 79611017
5-amino-N-ethyl-N-pyridin-4-ylhexanamide
CID 106935326
2-(azetidin-3-yl)-N-cyclopropyl-N-ethylacetamide
CID 64616153

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-ethyl-N-pyridin-4-ylacetamide?
The IUPAC name of 2-(azetidin-3-yl)-N-ethyl-N-pyridin-4-ylacetamide (CID 106935438) is 2-(azetidin-3-yl)-N-ethyl-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-ethyl-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-ethyl-N-pyridin-4-ylacetamide is CCN(C(=O)CC1CNC1)c1ccncc1.
What is the InChIKey of 2-(azetidin-3-yl)-N-ethyl-N-pyridin-4-ylacetamide?
The InChIKey is QQPUNYHYPCLSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-2-15(11-3-5-13-6-4-11)12(16)7-10-8-14-9-10/h3-6,10,14H,2,7-9H2,1H3.
What are the key properties of 2-(azetidin-3-yl)-N-ethyl-N-pyridin-4-ylacetamide?
2-(azetidin-3-yl)-N-ethyl-N-pyridin-4-ylacetamide has a molecular weight of 219.29 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-ethyl-N-pyridin-4-ylacetamide is sourced from PubChem (CID 106935438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).