N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide

C26H22N4O4 — CID 55779584

IUPACN-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
SMILESCc1ccc(C)c(Oc2ccc(CNC(=O)Cn3cnc4c(oc5ccccc54)c3=O)cn2)c1
InChIInChI=1S/C26H22N4O4/c1-16-7-8-17(2)21(11-16)33-23-10-9-18(13-28-23)12-27-22(31)14-30-15-29-24-19-5-3-4-6-20(19)34-25(24)26(30)32/h3-11,13,15H,12,14H2,1-2H3,(H,27,31)
InChIKeyIYRHOYLZWIGXLF-UHFFFAOYSA-N
MW454.49 g/mol
LogP4.26
Rot. Bonds6

About N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide

N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide (PubChem CID 55779584) has the molecular formula C26H22N4O4 and a molecular weight of 454.49 g/mol. Its IUPAC name is N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
PubChem CID55779584
Molecular FormulaC26H22N4O4
Molecular Weight454.49 g/mol
Exact Mass454.16
IUPAC NameN-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
SMILESCc1ccc(C)c(Oc2ccc(CNC(=O)Cn3cnc4c(oc5ccccc54)c3=O)cn2)c1
InChIInChI=1S/C26H22N4O4/c1-16-7-8-17(2)21(11-16)33-23-10-9-18(13-28-23)12-27-22(31)14-30-15-29-24-19-5-3-4-6-20(19)34-25(24)26(30)32/h3-11,13,15H,12,14H2,1-2H3,(H,27,31)
InChIKeyIYRHOYLZWIGXLF-UHFFFAOYSA-N
XLogP4.26
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.49
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 51123369
N-[2-(4-methoxyphenyl)ethyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 26644201
N-[2-(ethylamino)ethyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 119507744
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 26813139
methyl 6-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]hexanoate
CID 32987169
N-[(3,4-dimethylphenyl)carbamoyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 31806064
N-[2-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]ethyl]furan-2-carboxamide
CID 33377017
N-(2-amino-2-ethylbutyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 119642367
N-(4-iodo-2-methylphenyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 4808279
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 43058477
N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide
CID 55725443
N-(2-hydroxy-2,3-dimethylbutyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 111486425

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide (CID 55779584) is N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide is Cc1ccc(C)c(Oc2ccc(CNC(=O)Cn3cnc4c(oc5ccccc54)c3=O)cn2)c1.
What is the InChIKey of N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide?
The InChIKey is IYRHOYLZWIGXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O4/c1-16-7-8-17(2)21(11-16)33-23-10-9-18(13-28-23)12-27-22(31)14-30-15-29-24-19-5-3-4-6-20(19)34-25(24)26(30)32/h3-11,13,15H,12,14H2,1-2H3,(H,27,31).
What are the key properties of N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide?
N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide has a molecular weight of 454.49 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 55779584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).