2-[6-[2-(3-bromo-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]pentanamide

C20H23BrN2O5 — CID 91140790

IUPAC2-[6-[2-(3-bromo-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]pentanamide
SMILESCCCC(Oc1c(C(=O)Cc2ccncc2Br)ccc(OC)c1OC)C(N)=O
InChIInChI=1S/C20H23BrN2O5/c1-4-5-17(20(22)25)28-18-13(6-7-16(26-2)19(18)27-3)15(24)10-12-8-9-23-11-14(12)21/h6-9,11,17H,4-5,10H2,1-3H3,(H2,22,25)
InChIKeyQVZGBMQIHBASBJ-UHFFFAOYSA-N
MW451.32 g/mol
LogP3.32
Rot. Bonds10

About 2-[6-[2-(3-bromo-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]pentanamide

2-[6-[2-(3-bromo-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]pentanamide (PubChem CID 91140790) has the molecular formula C20H23BrN2O5 and a molecular weight of 451.32 g/mol. Its IUPAC name is 2-[6-[2-(3-bromo-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]pentanamide.

Molecular Properties

Compound Name2-[6-[2-(3-bromo-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]pentanamide
PubChem CID91140790
Molecular FormulaC20H23BrN2O5
Molecular Weight451.32 g/mol
Exact Mass450.08
IUPAC Name2-[6-[2-(3-bromo-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]pentanamide
SMILESCCCC(Oc1c(C(=O)Cc2ccncc2Br)ccc(OC)c1OC)C(N)=O
InChIInChI=1S/C20H23BrN2O5/c1-4-5-17(20(22)25)28-18-13(6-7-16(26-2)19(18)27-3)15(24)10-12-8-9-23-11-14(12)21/h6-9,11,17H,4-5,10H2,1-3H3,(H2,22,25)
InChIKeyQVZGBMQIHBASBJ-UHFFFAOYSA-N
XLogP3.32
TPSA100.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.32
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-[2-(3,5-dichloro-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]pentanamide
CID 91446208
2-(3,5-dichloro-4-pyridinyl)-1-[3,4-dimethoxy-2-(3-methylbutoxy)phenyl]ethanone
CID 24960690
2-[2,3-dimethoxy-6-(2-pyrazin-2-ylacetyl)phenoxy]-N-propylacetamide
CID 66829799
2-(3,5-dichloro-4-pyridinyl)-1-(3,4-dimethoxy-2-prop-2-enoxyphenyl)ethanone
CID 24959221
3-bromo-4-ethylpyridine
CID 13160533
2-phenyl-1-(2,3,4-trimethoxyphenyl)ethanone
CID 14284964
3-amino-1-(2-bromo-3,4-dimethoxyphenyl)propan-1-one
CID 117464809
1-(3-methoxy-4-pyridinyl)-2-naphthalen-1-ylethanone
CID 105064886
ethyl 3-oxo-3-(2,3,4-trimethoxyphenyl)propanoate
CID 21243225
N-pentan-2-yl-2-(2,3,4-trimethoxyphenyl)acetamide
CID 18089547
3-(1-amino-1-oxobutan-2-yl)oxypyridine-4-carboxylic acid
CID 81446130
2-(3-bromo-2,6-difluorophenyl)-1-(3-methoxy-4-pyridinyl)ethanone
CID 106267638

Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-(3-bromo-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]pentanamide?
The IUPAC name of 2-[6-[2-(3-bromo-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]pentanamide (CID 91140790) is 2-[6-[2-(3-bromo-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]pentanamide.
What is the SMILES notation for 2-[6-[2-(3-bromo-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]pentanamide?
The canonical SMILES for 2-[6-[2-(3-bromo-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]pentanamide is CCCC(Oc1c(C(=O)Cc2ccncc2Br)ccc(OC)c1OC)C(N)=O.
What is the InChIKey of 2-[6-[2-(3-bromo-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]pentanamide?
The InChIKey is QVZGBMQIHBASBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O5/c1-4-5-17(20(22)25)28-18-13(6-7-16(26-2)19(18)27-3)15(24)10-12-8-9-23-11-14(12)21/h6-9,11,17H,4-5,10H2,1-3H3,(H2,22,25).
What are the key properties of 2-[6-[2-(3-bromo-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]pentanamide?
2-[6-[2-(3-bromo-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]pentanamide has a molecular weight of 451.32 g/mol, XLogP of 3.32, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-(3-bromo-4-pyridinyl)acetyl]-2,3-dimethoxyphenoxy]pentanamide is sourced from PubChem (CID 91140790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).