3-[(3-bromo-2-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide

C17H18BrN3O3 — CID 122250099

IUPAC3-[(3-bromo-2-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CC(Oc3ncccc3Br)C2)cc1
InChIInChI=1S/C17H18BrN3O3/c1-23-13-6-4-12(5-7-13)9-20-17(22)21-10-14(11-21)24-16-15(18)3-2-8-19-16/h2-8,14H,9-11H2,1H3,(H,20,22)
InChIKeyYRHNJWDVRXTLDP-UHFFFAOYSA-N
MW392.25 g/mol
LogP2.83
Rot. Bonds5

About 3-[(3-bromo-2-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide

3-[(3-bromo-2-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide (PubChem CID 122250099) has the molecular formula C17H18BrN3O3 and a molecular weight of 392.25 g/mol. Its IUPAC name is 3-[(3-bromo-2-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-[(3-bromo-2-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide
PubChem CID122250099
Molecular FormulaC17H18BrN3O3
Molecular Weight392.25 g/mol
Exact Mass391.05
IUPAC Name3-[(3-bromo-2-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CC(Oc3ncccc3Br)C2)cc1
InChIInChI=1S/C17H18BrN3O3/c1-23-13-6-4-12(5-7-13)9-20-17(22)21-10-14(11-21)24-16-15(18)3-2-8-19-16/h2-8,14H,9-11H2,1H3,(H,20,22)
InChIKeyYRHNJWDVRXTLDP-UHFFFAOYSA-N
XLogP2.83
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.25
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-chloro-2-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide
CID 122248507
N-[2-(4-methoxyphenyl)ethyl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide
CID 122251081
3-[(3-chloro-2-pyridinyl)oxy]-N-[(4-fluorophenyl)methyl]azetidine-1-carboxamide
CID 122248114
N-[(4-methoxyphenyl)methyl]-3-quinolin-2-yloxyazetidine-1-carboxamide
CID 122250572
3-[(3-cyano-2-pyridinyl)oxy]-N-[(3,4-dimethoxyphenyl)methyl]azetidine-1-carboxamide
CID 122249300
3-[(3-bromo-2-pyridinyl)oxy]-N-(3-methylphenyl)azetidine-1-carboxamide
CID 122250074
N-[(4-methoxyphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 27516864
[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-cyclopropylmethanone
CID 122249860
[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 122249899
[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 122249894
4-[(3-bromo-2-pyridinyl)oxy]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 71799517
N-[(4-methoxyphenyl)methyl]-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 122261595

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-2-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide?
The IUPAC name of 3-[(3-bromo-2-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide (CID 122250099) is 3-[(3-bromo-2-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide.
What is the SMILES notation for 3-[(3-bromo-2-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide?
The canonical SMILES for 3-[(3-bromo-2-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide is COc1ccc(CNC(=O)N2CC(Oc3ncccc3Br)C2)cc1.
What is the InChIKey of 3-[(3-bromo-2-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide?
The InChIKey is YRHNJWDVRXTLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O3/c1-23-13-6-4-12(5-7-13)9-20-17(22)21-10-14(11-21)24-16-15(18)3-2-8-19-16/h2-8,14H,9-11H2,1H3,(H,20,22).
What are the key properties of 3-[(3-bromo-2-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide?
3-[(3-bromo-2-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide has a molecular weight of 392.25 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-2-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]azetidine-1-carboxamide is sourced from PubChem (CID 122250099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).