2-(2-methoxyphenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide

C23H20N4O3 — CID 122309055

IUPAC2-(2-methoxyphenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
SMILESCOc1ccccc1CC(=O)Nc1ccc(Oc2cc(-n3cccc3)ncn2)cc1
InChIInChI=1S/C23H20N4O3/c1-29-20-7-3-2-6-17(20)14-22(28)26-18-8-10-19(11-9-18)30-23-15-21(24-16-25-23)27-12-4-5-13-27/h2-13,15-16H,14H2,1H3,(H,26,28)
InChIKeyJYSIKIKCZHKWHU-UHFFFAOYSA-N
MW400.44 g/mol
LogP4.25
Rot. Bonds7

About 2-(2-methoxyphenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide

2-(2-methoxyphenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide (PubChem CID 122309055) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
PubChem CID122309055
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name2-(2-methoxyphenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
SMILESCOc1ccccc1CC(=O)Nc1ccc(Oc2cc(-n3cccc3)ncn2)cc1
InChIInChI=1S/C23H20N4O3/c1-29-20-7-3-2-6-17(20)14-22(28)26-18-8-10-19(11-9-18)30-23-15-21(24-16-25-23)27-12-4-5-13-27/h2-13,15-16H,14H2,1H3,(H,26,28)
InChIKeyJYSIKIKCZHKWHU-UHFFFAOYSA-N
XLogP4.25
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,4-difluorophenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
CID 122309067
2-(2-fluorophenoxy)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
CID 122309011
1-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 122309166
2-(4-propan-2-ylsulfonylphenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
CID 122309037
4-phenyl-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]butanamide
CID 122308856
2,2-diphenyl-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
CID 122308873
1-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 122308969
2-(2-methoxyphenyl)-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide
CID 122306741
3-methoxy-1-methyl-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]pyrazole-4-carboxamide
CID 122309030
4-(dimethylamino)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122309038
2,4,5-trifluoro-3-methoxy-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122309080
3-(2,5-dimethoxyphenyl)-1-methyl-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]pyrazole-5-carboxamide
CID 122309042

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide?
The IUPAC name of 2-(2-methoxyphenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide (CID 122309055) is 2-(2-methoxyphenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide?
The canonical SMILES for 2-(2-methoxyphenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide is COc1ccccc1CC(=O)Nc1ccc(Oc2cc(-n3cccc3)ncn2)cc1.
What is the InChIKey of 2-(2-methoxyphenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide?
The InChIKey is JYSIKIKCZHKWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-29-20-7-3-2-6-17(20)14-22(28)26-18-8-10-19(11-9-18)30-23-15-21(24-16-25-23)27-12-4-5-13-27/h2-13,15-16H,14H2,1H3,(H,26,28).
What are the key properties of 2-(2-methoxyphenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide?
2-(2-methoxyphenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide has a molecular weight of 400.44 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide is sourced from PubChem (CID 122309055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).