3-[[2-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]acetyl]amino]benzamide

C26H23N5O3 — CID 58396283

IUPAC3-[[2-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]acetyl]amino]benzamide
SMILESCCc1nccc(-c2cccnc2Oc2ccc(CC(=O)Nc3cccc(C(N)=O)c3)cc2)n1
InChIInChI=1S/C26H23N5O3/c1-2-23-28-14-12-22(31-23)21-7-4-13-29-26(21)34-20-10-8-17(9-11-20)15-24(32)30-19-6-3-5-18(16-19)25(27)33/h3-14,16H,2,15H2,1H3,(H2,27,33)(H,30,32)
InChIKeyKPYSSJSRTFREIU-UHFFFAOYSA-N
MW453.50 g/mol
LogP4.17
Rot. Bonds8

About 3-[[2-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]acetyl]amino]benzamide

3-[[2-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]acetyl]amino]benzamide (PubChem CID 58396283) has the molecular formula C26H23N5O3 and a molecular weight of 453.50 g/mol. Its IUPAC name is 3-[[2-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]acetyl]amino]benzamide.

Molecular Properties

Compound Name3-[[2-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]acetyl]amino]benzamide
PubChem CID58396283
Molecular FormulaC26H23N5O3
Molecular Weight453.50 g/mol
Exact Mass453.18
IUPAC Name3-[[2-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]acetyl]amino]benzamide
SMILESCCc1nccc(-c2cccnc2Oc2ccc(CC(=O)Nc3cccc(C(N)=O)c3)cc2)n1
InChIInChI=1S/C26H23N5O3/c1-2-23-28-14-12-22(31-23)21-7-4-13-29-26(21)34-20-10-8-17(9-11-20)15-24(32)30-19-6-3-5-18(16-19)25(27)33/h3-14,16H,2,15H2,1H3,(H2,27,33)(H,30,32)
InChIKeyKPYSSJSRTFREIU-UHFFFAOYSA-N
XLogP4.17
TPSA120.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-3-(4-phenoxyphenyl)urea
CID 58397003
1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-3-(9H-fluoren-2-yl)urea
CID 58396205
1-(3-tert-butylphenyl)-3-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-2-methylphenyl]urea
CID 58396466
1-(3-ethylphenyl)-3-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]urea
CID 58587813
N-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]-2-oxo-2-phenylacetamide
CID 58396397
3-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-5-ethynyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 58396664
1-(5-chloro-2,4-dimethoxyphenyl)-3-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]urea
CID 58397195
1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-3-[2-fluoro-3-(trifluoromethyl)phenyl]urea
CID 58396427
2-(cyclopropylmethylamino)-N-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]pyridine-3-carboxamide
CID 58396445
3-[[2-[4-(aminomethyl)phenyl]acetyl]amino]benzamide
CID 107811064
1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]-3-[3-fluoro-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]urea
CID 58396865
methyl 3-[[2-(4-ethoxyphenyl)acetyl]amino]benzoate
CID 17414832

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]acetyl]amino]benzamide?
The IUPAC name of 3-[[2-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]acetyl]amino]benzamide (CID 58396283) is 3-[[2-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]acetyl]amino]benzamide.
What is the SMILES notation for 3-[[2-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]acetyl]amino]benzamide?
The canonical SMILES for 3-[[2-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]acetyl]amino]benzamide is CCc1nccc(-c2cccnc2Oc2ccc(CC(=O)Nc3cccc(C(N)=O)c3)cc2)n1.
What is the InChIKey of 3-[[2-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]acetyl]amino]benzamide?
The InChIKey is KPYSSJSRTFREIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O3/c1-2-23-28-14-12-22(31-23)21-7-4-13-29-26(21)34-20-10-8-17(9-11-20)15-24(32)30-19-6-3-5-18(16-19)25(27)33/h3-14,16H,2,15H2,1H3,(H2,27,33)(H,30,32).
What are the key properties of 3-[[2-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]acetyl]amino]benzamide?
3-[[2-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]acetyl]amino]benzamide has a molecular weight of 453.50 g/mol, XLogP of 4.17, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]acetyl]amino]benzamide is sourced from PubChem (CID 58396283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).