3-[(3-bromo-2-pyridinyl)oxy]-N-(3-methylphenyl)azetidine-1-carboxamide

C16H16BrN3O2 — CID 122250074

IUPAC3-[(3-bromo-2-pyridinyl)oxy]-N-(3-methylphenyl)azetidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CC(Oc3ncccc3Br)C2)c1
InChIInChI=1S/C16H16BrN3O2/c1-11-4-2-5-12(8-11)19-16(21)20-9-13(10-20)22-15-14(17)6-3-7-18-15/h2-8,13H,9-10H2,1H3,(H,19,21)
InChIKeyBTDDYPIAUCJGCH-UHFFFAOYSA-N
MW362.23 g/mol
LogP3.45
Rot. Bonds3

About 3-[(3-bromo-2-pyridinyl)oxy]-N-(3-methylphenyl)azetidine-1-carboxamide

3-[(3-bromo-2-pyridinyl)oxy]-N-(3-methylphenyl)azetidine-1-carboxamide (PubChem CID 122250074) has the molecular formula C16H16BrN3O2 and a molecular weight of 362.23 g/mol. Its IUPAC name is 3-[(3-bromo-2-pyridinyl)oxy]-N-(3-methylphenyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-[(3-bromo-2-pyridinyl)oxy]-N-(3-methylphenyl)azetidine-1-carboxamide
PubChem CID122250074
Molecular FormulaC16H16BrN3O2
Molecular Weight362.23 g/mol
Exact Mass361.04
IUPAC Name3-[(3-bromo-2-pyridinyl)oxy]-N-(3-methylphenyl)azetidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CC(Oc3ncccc3Br)C2)c1
InChIInChI=1S/C16H16BrN3O2/c1-11-4-2-5-12(8-11)19-16(21)20-9-13(10-20)22-15-14(17)6-3-7-18-15/h2-8,13H,9-10H2,1H3,(H,19,21)
InChIKeyBTDDYPIAUCJGCH-UHFFFAOYSA-N
XLogP3.45
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-chloro-2-pyridinyl)oxy]-N-(3-methoxyphenyl)azetidine-1-carboxamide
CID 122248088
(3S,4R)-3,4-dihydroxy-N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 79411041
3-[(3-cyano-2-pyridinyl)oxy]-N-(4-methylphenyl)azetidine-1-carboxamide
CID 122249279
3-[(3-cyano-2-pyridinyl)oxy]-N-(3,4-dimethylphenyl)azetidine-1-carboxamide
CID 122249293
[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-cyclopropylmethanone
CID 122249860
[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 122250028
3-[(3-bromo-2-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide
CID 122250099
N-(4-chlorophenyl)-3-[(3-chloro-2-pyridinyl)oxy]azetidine-1-carboxamide
CID 122248083
[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 122249894
[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 122249899
N-(3-methoxyphenyl)-3-pyridin-2-yloxyazetidine-1-carboxamide
CID 122247293
N-(4-tert-butylphenyl)-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide
CID 122251071

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-2-pyridinyl)oxy]-N-(3-methylphenyl)azetidine-1-carboxamide?
The IUPAC name of 3-[(3-bromo-2-pyridinyl)oxy]-N-(3-methylphenyl)azetidine-1-carboxamide (CID 122250074) is 3-[(3-bromo-2-pyridinyl)oxy]-N-(3-methylphenyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-[(3-bromo-2-pyridinyl)oxy]-N-(3-methylphenyl)azetidine-1-carboxamide?
The canonical SMILES for 3-[(3-bromo-2-pyridinyl)oxy]-N-(3-methylphenyl)azetidine-1-carboxamide is Cc1cccc(NC(=O)N2CC(Oc3ncccc3Br)C2)c1.
What is the InChIKey of 3-[(3-bromo-2-pyridinyl)oxy]-N-(3-methylphenyl)azetidine-1-carboxamide?
The InChIKey is BTDDYPIAUCJGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O2/c1-11-4-2-5-12(8-11)19-16(21)20-9-13(10-20)22-15-14(17)6-3-7-18-15/h2-8,13H,9-10H2,1H3,(H,19,21).
What are the key properties of 3-[(3-bromo-2-pyridinyl)oxy]-N-(3-methylphenyl)azetidine-1-carboxamide?
3-[(3-bromo-2-pyridinyl)oxy]-N-(3-methylphenyl)azetidine-1-carboxamide has a molecular weight of 362.23 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-2-pyridinyl)oxy]-N-(3-methylphenyl)azetidine-1-carboxamide is sourced from PubChem (CID 122250074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).