N-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]-2-oxo-2-phenylacetamide

C26H22N4O3 — CID 58396397

IUPACN-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]-2-oxo-2-phenylacetamide
SMILESCCc1nccc(-c2cccnc2Oc2ccc(NC(=O)C(=O)c3ccccc3)cc2C)n1
InChIInChI=1S/C26H22N4O3/c1-3-23-27-15-13-21(30-23)20-10-7-14-28-26(20)33-22-12-11-19(16-17(22)2)29-25(32)24(31)18-8-5-4-6-9-18/h4-16H,3H2,1-2H3,(H,29,32)
InChIKeyFOZDXHOOZBPRTF-UHFFFAOYSA-N
MW438.49 g/mol
LogP5.02
Rot. Bonds7

About N-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]-2-oxo-2-phenylacetamide

N-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]-2-oxo-2-phenylacetamide (PubChem CID 58396397) has the molecular formula C26H22N4O3 and a molecular weight of 438.49 g/mol. Its IUPAC name is N-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]-2-oxo-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]-2-oxo-2-phenylacetamide
PubChem CID58396397
Molecular FormulaC26H22N4O3
Molecular Weight438.49 g/mol
Exact Mass438.17
IUPAC NameN-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]-2-oxo-2-phenylacetamide
SMILESCCc1nccc(-c2cccnc2Oc2ccc(NC(=O)C(=O)c3ccccc3)cc2C)n1
InChIInChI=1S/C26H22N4O3/c1-3-23-27-15-13-21(30-23)20-10-7-14-28-26(20)33-22-12-11-19(16-17(22)2)29-25(32)24(31)18-8-5-4-6-9-18/h4-16H,3H2,1-2H3,(H,29,32)
InChIKeyFOZDXHOOZBPRTF-UHFFFAOYSA-N
XLogP5.02
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.49
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-cyclohexyl-N-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]benzamide
CID 58396174
tert-butyl N-[(1R)-2-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylanilino]-2-oxo-1-phenylethyl]carbamate
CID 147730291
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-ethylphenyl)-3-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-3-methylphenyl]urea
CID 58396292
1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-3-methylphenyl]-3-(2-methoxyphenyl)urea
CID 58396746
N-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]-4-(2-morpholin-4-ylethylamino)-3-(trifluoromethyl)benzamide
CID 58396995
2-bromo-N-[3-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-4-methylphenyl]-5-methoxybenzamide
CID 58397028
1-ethyl-3-[3-methyl-4-[[3-[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]urea
CID 58396305
1-[3-chloro-2-[3-(dimethylamino)propyl-methylamino]-5-(trifluoromethyl)phenyl]-3-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]urea
CID 58397021
3-[[2-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]phenyl]acetyl]amino]benzamide
CID 58396283
1-(4-tert-butylphenyl)-3-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]urea
CID 58588545

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]-2-oxo-2-phenylacetamide?
The IUPAC name of N-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]-2-oxo-2-phenylacetamide (CID 58396397) is N-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]-2-oxo-2-phenylacetamide.
What is the SMILES notation for N-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]-2-oxo-2-phenylacetamide?
The canonical SMILES for N-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]-2-oxo-2-phenylacetamide is CCc1nccc(-c2cccnc2Oc2ccc(NC(=O)C(=O)c3ccccc3)cc2C)n1.
What is the InChIKey of N-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]-2-oxo-2-phenylacetamide?
The InChIKey is FOZDXHOOZBPRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O3/c1-3-23-27-15-13-21(30-23)20-10-7-14-28-26(20)33-22-12-11-19(16-17(22)2)29-25(32)24(31)18-8-5-4-6-9-18/h4-16H,3H2,1-2H3,(H,29,32).
What are the key properties of N-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]-2-oxo-2-phenylacetamide?
N-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]-2-oxo-2-phenylacetamide has a molecular weight of 438.49 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]-2-oxo-2-phenylacetamide is sourced from PubChem (CID 58396397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).