[3-(2-tert-butyl-4-fluorophenoxy)azetidin-1-yl]-pyridin-2-ylmethanone

C19H21FN2O2 — CID 59577179

IUPAC[3-(2-tert-butyl-4-fluorophenoxy)azetidin-1-yl]-pyridin-2-ylmethanone
SMILESCC(C)(C)c1cc(F)ccc1OC1CN(C(=O)c2ccccn2)C1
InChIInChI=1S/C19H21FN2O2/c1-19(2,3)15-10-13(20)7-8-17(15)24-14-11-22(12-14)18(23)16-6-4-5-9-21-16/h4-10,14H,11-12H2,1-3H3
InChIKeyNKBTZZMPHFITPK-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.42
Rot. Bonds3

About [3-(2-tert-butyl-4-fluorophenoxy)azetidin-1-yl]-pyridin-2-ylmethanone

[3-(2-tert-butyl-4-fluorophenoxy)azetidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 59577179) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is [3-(2-tert-butyl-4-fluorophenoxy)azetidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[3-(2-tert-butyl-4-fluorophenoxy)azetidin-1-yl]-pyridin-2-ylmethanone
PubChem CID59577179
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name[3-(2-tert-butyl-4-fluorophenoxy)azetidin-1-yl]-pyridin-2-ylmethanone
SMILESCC(C)(C)c1cc(F)ccc1OC1CN(C(=O)c2ccccn2)C1
InChIInChI=1S/C19H21FN2O2/c1-19(2,3)15-10-13(20)7-8-17(15)24-14-11-22(12-14)18(23)16-6-4-5-9-21-16/h4-10,14H,11-12H2,1-3H3
InChIKeyNKBTZZMPHFITPK-UHFFFAOYSA-N
XLogP3.42
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(3-propoxybenzoyl)amino]ethyl]pyridine-2-carboxamide
CID 2985341
Pyridine-2-carboxylic acid [2-(2-o-tolyloxy-acetylamino)-ethyl]-amide
CID 2989437
2-(4-methylphenoxy)-N-[2-(2-pyridylcarbonylamino)ethyl]acetamide
CID 2990967
N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]pyridine-2-carboxamide
CID 2991309
2-(2-methylphenoxy)-N-[3-(2-pyridylcarbonylamino)propyl]acetamide
CID 2992308
Pyridine-2-carboxylic acid [3-(2-m-tolyloxy-acetylamino)-propyl]-amide
CID 6456985
2-[[Acetyl[4-(tetradecyloxy)benzoyl]amino]methyl]-1-methylpyridinium iodide
CID 9851822
2-[[Acetyl[3-(1,1-dimethylethyl)-4-(tetradecyloxy)-benzoyl]amino]methyl]-1-methylpyridinium iodide
CID 9939585
5-(4-Fluorophenyl)-7,8-dihydro-N-(2-methoxybenzyl)-N,7-dimethyl-8-oxo-6-pyrido[3,4-b]pyridinecarboxamide
CID 9980171
N,N-Diethyl-5-(spiro[chromene-2,4''-piperidine]-4-yl)picolinamide
CID 11211122
[3-[4-[(4-Ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-pyridin-2-ylmethanone
CID 59633910
[3-[4-[(4-Ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-(5-methyl-2-pyridinyl)methanone
CID 59633916

Frequently Asked Questions

What is the IUPAC name of [3-(2-tert-butyl-4-fluorophenoxy)azetidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [3-(2-tert-butyl-4-fluorophenoxy)azetidin-1-yl]-pyridin-2-ylmethanone (CID 59577179) is [3-(2-tert-butyl-4-fluorophenoxy)azetidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [3-(2-tert-butyl-4-fluorophenoxy)azetidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [3-(2-tert-butyl-4-fluorophenoxy)azetidin-1-yl]-pyridin-2-ylmethanone is CC(C)(C)c1cc(F)ccc1OC1CN(C(=O)c2ccccn2)C1.
What is the InChIKey of [3-(2-tert-butyl-4-fluorophenoxy)azetidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is NKBTZZMPHFITPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-19(2,3)15-10-13(20)7-8-17(15)24-14-11-22(12-14)18(23)16-6-4-5-9-21-16/h4-10,14H,11-12H2,1-3H3.
What are the key properties of [3-(2-tert-butyl-4-fluorophenoxy)azetidin-1-yl]-pyridin-2-ylmethanone?
[3-(2-tert-butyl-4-fluorophenoxy)azetidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 328.39 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-tert-butyl-4-fluorophenoxy)azetidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 59577179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).