2-bromo-N-[3-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-4-methylphenyl]-5-methoxybenzamide

C26H23BrN4O3 — CID 58397028

IUPAC2-bromo-N-[3-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-4-methylphenyl]-5-methoxybenzamide
SMILESCCc1nccc(-c2cccnc2Oc2cc(NC(=O)c3cc(OC)ccc3Br)ccc2C)n1
InChIInChI=1S/C26H23BrN4O3/c1-4-24-28-13-11-22(31-24)19-6-5-12-29-26(19)34-23-14-17(8-7-16(23)2)30-25(32)20-15-18(33-3)9-10-21(20)27/h5-15H,4H2,1-3H3,(H,30,32)
InChIKeyYKNMVGGZLKTZMH-UHFFFAOYSA-N
MW519.40 g/mol
LogP6.23
Rot. Bonds7

About 2-bromo-N-[3-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-4-methylphenyl]-5-methoxybenzamide

2-bromo-N-[3-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-4-methylphenyl]-5-methoxybenzamide (PubChem CID 58397028) has the molecular formula C26H23BrN4O3 and a molecular weight of 519.40 g/mol. Its IUPAC name is 2-bromo-N-[3-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-4-methylphenyl]-5-methoxybenzamide.

Molecular Properties

Compound Name2-bromo-N-[3-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-4-methylphenyl]-5-methoxybenzamide
PubChem CID58397028
Molecular FormulaC26H23BrN4O3
Molecular Weight519.40 g/mol
Exact Mass518.10
IUPAC Name2-bromo-N-[3-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-4-methylphenyl]-5-methoxybenzamide
SMILESCCc1nccc(-c2cccnc2Oc2cc(NC(=O)c3cc(OC)ccc3Br)ccc2C)n1
InChIInChI=1S/C26H23BrN4O3/c1-4-24-28-13-11-22(31-24)19-6-5-12-29-26(19)34-23-14-17(8-7-16(23)2)30-25(32)20-15-18(33-3)9-10-21(20)27/h5-15H,4H2,1-3H3,(H,30,32)
InChIKeyYKNMVGGZLKTZMH-UHFFFAOYSA-N
XLogP6.23
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.40
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-bromo-N-[3-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-4-methylphenyl]-5-methoxybenzamide with MolForge

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Related Compounds

2-bromo-5-methoxy-N-[4-methyl-3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]benzamide
CID 58588143
N-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]-2-oxo-2-phenylacetamide
CID 58396397
1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-3-(4-phenoxyphenyl)urea
CID 58397003
2-(cyclopropylmethylamino)-N-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]pyridine-3-carboxamide
CID 58396445
1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-3-(9H-fluoren-2-yl)urea
CID 58396205
3-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-N-(2,2,3,3,4,4,4-heptafluorobutyl)-4-methylbenzamide
CID 58397297
1-(5-chloro-2,4-dimethoxyphenyl)-3-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]urea
CID 58397195
4-cyclohexyl-N-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]benzamide
CID 58396174
1-(3-tert-butylphenyl)-3-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-2-methylphenyl]urea
CID 58396466
N-(3-amino-4-ethylphenyl)-2-bromo-5-methoxybenzamide
CID 43550231
2-bromo-5-methoxy-N-(8-methylquinolin-5-yl)benzamide
CID 38266685
N-(5-cyclohexyl-2-methoxyphenyl)-3-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-2-methylbenzamide
CID 58396408

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-4-methylphenyl]-5-methoxybenzamide?
The IUPAC name of 2-bromo-N-[3-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-4-methylphenyl]-5-methoxybenzamide (CID 58397028) is 2-bromo-N-[3-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-4-methylphenyl]-5-methoxybenzamide.
What is the SMILES notation for 2-bromo-N-[3-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-4-methylphenyl]-5-methoxybenzamide?
The canonical SMILES for 2-bromo-N-[3-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-4-methylphenyl]-5-methoxybenzamide is CCc1nccc(-c2cccnc2Oc2cc(NC(=O)c3cc(OC)ccc3Br)ccc2C)n1.
What is the InChIKey of 2-bromo-N-[3-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-4-methylphenyl]-5-methoxybenzamide?
The InChIKey is YKNMVGGZLKTZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23BrN4O3/c1-4-24-28-13-11-22(31-24)19-6-5-12-29-26(19)34-23-14-17(8-7-16(23)2)30-25(32)20-15-18(33-3)9-10-21(20)27/h5-15H,4H2,1-3H3,(H,30,32).
What are the key properties of 2-bromo-N-[3-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-4-methylphenyl]-5-methoxybenzamide?
2-bromo-N-[3-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-4-methylphenyl]-5-methoxybenzamide has a molecular weight of 519.40 g/mol, XLogP of 6.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-4-methylphenyl]-5-methoxybenzamide is sourced from PubChem (CID 58397028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).