N-(5-bromo-2-pyridinyl)-4-(2,4-dimethoxyphenyl)-4-hydroxybutanamide

C17H19BrN2O4 — CID 84555427

IUPACN-(5-bromo-2-pyridinyl)-4-(2,4-dimethoxyphenyl)-4-hydroxybutanamide
SMILESCOc1ccc(C(O)CCC(=O)Nc2ccc(Br)cn2)c(OC)c1
InChIInChI=1S/C17H19BrN2O4/c1-23-12-4-5-13(15(9-12)24-2)14(21)6-8-17(22)20-16-7-3-11(18)10-19-16/h3-5,7,9-10,14,21H,6,8H2,1-2H3,(H,19,20,22)
InChIKeyARCJUKUQNVYAPG-UHFFFAOYSA-N
MW395.25 g/mol
LogP3.31
Rot. Bonds7

About N-(5-bromo-2-pyridinyl)-4-(2,4-dimethoxyphenyl)-4-hydroxybutanamide

N-(5-bromo-2-pyridinyl)-4-(2,4-dimethoxyphenyl)-4-hydroxybutanamide (PubChem CID 84555427) has the molecular formula C17H19BrN2O4 and a molecular weight of 395.25 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-4-(2,4-dimethoxyphenyl)-4-hydroxybutanamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-4-(2,4-dimethoxyphenyl)-4-hydroxybutanamide
PubChem CID84555427
Molecular FormulaC17H19BrN2O4
Molecular Weight395.25 g/mol
Exact Mass394.05
IUPAC NameN-(5-bromo-2-pyridinyl)-4-(2,4-dimethoxyphenyl)-4-hydroxybutanamide
SMILESCOc1ccc(C(O)CCC(=O)Nc2ccc(Br)cn2)c(OC)c1
InChIInChI=1S/C17H19BrN2O4/c1-23-12-4-5-13(15(9-12)24-2)14(21)6-8-17(22)20-16-7-3-11(18)10-19-16/h3-5,7,9-10,14,21H,6,8H2,1-2H3,(H,19,20,22)
InChIKeyARCJUKUQNVYAPG-UHFFFAOYSA-N
XLogP3.31
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.25
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(1H-pyrazol-5-yl)butanamide
CID 84555446
4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(2,4,6-trichlorophenyl)butanamide
CID 84555209
2-[[4-(2,4-dimethoxyphenyl)-4-hydroxybutanoyl]amino]-3-methylpentanoic acid
CID 84556321
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(2,4-dimethoxyphenyl)-4-hydroxybutanamide
CID 84555197
1-(2,4-dimethoxyphenyl)-4-methylpentan-1-ol
CID 61088835
N-(5-bromo-2-pyridinyl)-2-(5-methoxyindol-1-yl)acetamide
CID 29139061
4-(2,4-dimethoxyphenyl)-N-(3-ethoxypropyl)-4-hydroxybutanamide
CID 84556248
1-(5-bromo-2-pyridinyl)-3-[(4-methoxyphenyl)methyl]urea
CID 108868273
4-(2,4-dimethoxyphenyl)-4-hydroxy-N-[4-(4-methylpiperidin-1-yl)phenyl]butanamide
CID 84555255
(4R)-4-(2,4-dimethoxyphenyl)-4-hydroxybutan-2-one
CID 131874680
N-(5-bromo-2-pyridinyl)-2,4-dimethoxybenzenesulfonamide
CID 19683207
1-(5-bromo-2-pyridinyl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
CID 115606086

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-4-(2,4-dimethoxyphenyl)-4-hydroxybutanamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-4-(2,4-dimethoxyphenyl)-4-hydroxybutanamide (CID 84555427) is N-(5-bromo-2-pyridinyl)-4-(2,4-dimethoxyphenyl)-4-hydroxybutanamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-4-(2,4-dimethoxyphenyl)-4-hydroxybutanamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-4-(2,4-dimethoxyphenyl)-4-hydroxybutanamide is COc1ccc(C(O)CCC(=O)Nc2ccc(Br)cn2)c(OC)c1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-4-(2,4-dimethoxyphenyl)-4-hydroxybutanamide?
The InChIKey is ARCJUKUQNVYAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O4/c1-23-12-4-5-13(15(9-12)24-2)14(21)6-8-17(22)20-16-7-3-11(18)10-19-16/h3-5,7,9-10,14,21H,6,8H2,1-2H3,(H,19,20,22).
What are the key properties of N-(5-bromo-2-pyridinyl)-4-(2,4-dimethoxyphenyl)-4-hydroxybutanamide?
N-(5-bromo-2-pyridinyl)-4-(2,4-dimethoxyphenyl)-4-hydroxybutanamide has a molecular weight of 395.25 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-4-(2,4-dimethoxyphenyl)-4-hydroxybutanamide is sourced from PubChem (CID 84555427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).