2-[2-bromo-6-ethoxy-4-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide

C17H20BrN3O3 — CID 979578

IUPAC2-[2-bromo-6-ethoxy-4-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide
SMILESCCOc1cc(CNCc2cccnc2)cc(Br)c1OCC(N)=O
InChIInChI=1S/C17H20BrN3O3/c1-2-23-15-7-13(6-14(18)17(15)24-11-16(19)22)10-21-9-12-4-3-5-20-8-12/h3-8,21H,2,9-11H2,1H3,(H2,19,22)
InChIKeyZEIUIOMIOHTZPJ-UHFFFAOYSA-N
MW394.27 g/mol
LogP2.40
Rot. Bonds9

About 2-[2-bromo-6-ethoxy-4-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide

2-[2-bromo-6-ethoxy-4-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide (PubChem CID 979578) has the molecular formula C17H20BrN3O3 and a molecular weight of 394.27 g/mol. Its IUPAC name is 2-[2-bromo-6-ethoxy-4-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-bromo-6-ethoxy-4-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide
PubChem CID979578
Molecular FormulaC17H20BrN3O3
Molecular Weight394.27 g/mol
Exact Mass393.07
IUPAC Name2-[2-bromo-6-ethoxy-4-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide
SMILESCCOc1cc(CNCc2cccnc2)cc(Br)c1OCC(N)=O
InChIInChI=1S/C17H20BrN3O3/c1-2-23-15-7-13(6-14(18)17(15)24-11-16(19)22)10-21-9-12-4-3-5-20-8-12/h3-8,21H,2,9-11H2,1H3,(H2,19,22)
InChIKeyZEIUIOMIOHTZPJ-UHFFFAOYSA-N
XLogP2.40
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.27
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-bromo-4-ethylphenoxy)-N-(pyridin-4-yl)acetamide
CID 894100
2-(2-bromo-4-tert-butylphenoxy)-N-(pyridin-4-yl)acetamide
CID 2203155
[3-Bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanol
CID 666571
(4-Allyloxy-3-ethoxy-benzyl)-pyridin-3-ylmethyl-amine
CID 2959099
N-cyclohexyl-2-(2-methoxy-4-{[(2-pyridinylmethyl)amino]methyl}phenoxy)acetamide hydrochloride
CID 2969655
N-tert-butyl-2-[2-methoxy-4-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride
CID 2973405
2-(2-Bromo-6-ethoxy-4-{[(pyridin-3-ylmethyl)-amino]-methyl}-phenoxy)-acetamide
CID 2974018
2-(2-Methoxy-4-{[(2-pyridinylmethyl)amino]methyl}phenoxy)acetamide hydrochloride
CID 2974920
N-(tert-butyl)-2-(2-methoxy-4-{[(2-pyridinylmethyl)amino]methyl}phenoxy)acetamide hydrochloride
CID 2978272
N-cyclohexyl-2-(2-ethoxy-4-{[(2-pyridinylmethyl)amino]methyl}phenoxy)acetamide
CID 2981848
N-[(E)-[4-(2-amino-2-oxoethoxy)-3-bromo-5-ethoxyphenyl]methylideneamino]pyridine-3-carboxamide
CID 6905944
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-pyridin-4-ylacetamide
CID 6212067

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-6-ethoxy-4-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide?
The IUPAC name of 2-[2-bromo-6-ethoxy-4-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide (CID 979578) is 2-[2-bromo-6-ethoxy-4-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-bromo-6-ethoxy-4-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide?
The canonical SMILES for 2-[2-bromo-6-ethoxy-4-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide is CCOc1cc(CNCc2cccnc2)cc(Br)c1OCC(N)=O.
What is the InChIKey of 2-[2-bromo-6-ethoxy-4-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide?
The InChIKey is ZEIUIOMIOHTZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O3/c1-2-23-15-7-13(6-14(18)17(15)24-11-16(19)22)10-21-9-12-4-3-5-20-8-12/h3-8,21H,2,9-11H2,1H3,(H2,19,22).
What are the key properties of 2-[2-bromo-6-ethoxy-4-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide?
2-[2-bromo-6-ethoxy-4-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide has a molecular weight of 394.27 g/mol, XLogP of 2.40, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-6-ethoxy-4-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide is sourced from PubChem (CID 979578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).