1-[3-[[5-[2-(dimethylamino)-N-ethenylanilino]-2-pyridinyl]oxy]azetidin-1-yl]ethanone

C20H24N4O2 — CID 167056147

IUPAC1-[3-[[5-[2-(dimethylamino)-N-ethenylanilino]-2-pyridinyl]oxy]azetidin-1-yl]ethanone
SMILESC=CN(c1ccc(OC2CN(C(C)=O)C2)nc1)c1ccccc1N(C)C
InChIInChI=1S/C20H24N4O2/c1-5-24(19-9-7-6-8-18(19)22(3)4)16-10-11-20(21-12-16)26-17-13-23(14-17)15(2)25/h5-12,17H,1,13-14H2,2-4H3
InChIKeyVZXUDHFSMMVORY-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.04
Rot. Bonds6

About 1-[3-[[5-[2-(dimethylamino)-N-ethenylanilino]-2-pyridinyl]oxy]azetidin-1-yl]ethanone

1-[3-[[5-[2-(dimethylamino)-N-ethenylanilino]-2-pyridinyl]oxy]azetidin-1-yl]ethanone (PubChem CID 167056147) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-[3-[[5-[2-(dimethylamino)-N-ethenylanilino]-2-pyridinyl]oxy]azetidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[[5-[2-(dimethylamino)-N-ethenylanilino]-2-pyridinyl]oxy]azetidin-1-yl]ethanone
PubChem CID167056147
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name1-[3-[[5-[2-(dimethylamino)-N-ethenylanilino]-2-pyridinyl]oxy]azetidin-1-yl]ethanone
SMILESC=CN(c1ccc(OC2CN(C(C)=O)C2)nc1)c1ccccc1N(C)C
InChIInChI=1S/C20H24N4O2/c1-5-24(19-9-7-6-8-18(19)22(3)4)16-10-11-20(21-12-16)26-17-13-23(14-17)15(2)25/h5-12,17H,1,13-14H2,2-4H3
InChIKeyVZXUDHFSMMVORY-UHFFFAOYSA-N
XLogP3.04
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]ethanone
CID 122249452
1-[4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]piperidin-1-yl]ethanone
CID 122247458
[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(2-methylphenyl)methanone
CID 122248288
2-(2-chlorophenyl)-1-[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]ethanone
CID 122248418
1-(4-pyridin-2-yloxypiperidin-1-yl)ethanone
CID 71798593
[4-[hydroxy(oxido)amino]phenyl] 3-[[5-(2-fluorophenyl)-2-pyridinyl]oxy]azetidine-1-carboxylate
CID 153062447
1-[4-amino-3-[4-[[5-(dimethylamino)-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl]ethanone
CID 167705361
3-[(5-chloro-2-pyridinyl)oxy]-N-(2-methylphenyl)azetidine-1-carboxamide
CID 122248522
1-[4-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 100630799
1-[3-(5-bromopyrazin-2-yl)oxypyrrolidin-1-yl]ethanone
CID 167351126
6-[1-[2-(2-chlorophenyl)acetyl]azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248816
1-[6-(oxetan-3-yloxy)-3-pyridinyl]ethanone
CID 102604862

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[5-[2-(dimethylamino)-N-ethenylanilino]-2-pyridinyl]oxy]azetidin-1-yl]ethanone?
The IUPAC name of 1-[3-[[5-[2-(dimethylamino)-N-ethenylanilino]-2-pyridinyl]oxy]azetidin-1-yl]ethanone (CID 167056147) is 1-[3-[[5-[2-(dimethylamino)-N-ethenylanilino]-2-pyridinyl]oxy]azetidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[[5-[2-(dimethylamino)-N-ethenylanilino]-2-pyridinyl]oxy]azetidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[[5-[2-(dimethylamino)-N-ethenylanilino]-2-pyridinyl]oxy]azetidin-1-yl]ethanone is C=CN(c1ccc(OC2CN(C(C)=O)C2)nc1)c1ccccc1N(C)C.
What is the InChIKey of 1-[3-[[5-[2-(dimethylamino)-N-ethenylanilino]-2-pyridinyl]oxy]azetidin-1-yl]ethanone?
The InChIKey is VZXUDHFSMMVORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-5-24(19-9-7-6-8-18(19)22(3)4)16-10-11-20(21-12-16)26-17-13-23(14-17)15(2)25/h5-12,17H,1,13-14H2,2-4H3.
What are the key properties of 1-[3-[[5-[2-(dimethylamino)-N-ethenylanilino]-2-pyridinyl]oxy]azetidin-1-yl]ethanone?
1-[3-[[5-[2-(dimethylamino)-N-ethenylanilino]-2-pyridinyl]oxy]azetidin-1-yl]ethanone has a molecular weight of 352.44 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[5-[2-(dimethylamino)-N-ethenylanilino]-2-pyridinyl]oxy]azetidin-1-yl]ethanone is sourced from PubChem (CID 167056147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).