N-[3-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]benzamide

C20H16N4O2 — CID 52947137

IUPACN-[3-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]benzamide
SMILESCn1ccc2ncnc(Oc3cccc(NC(=O)c4ccccc4)c3)c21
InChIInChI=1S/C20H16N4O2/c1-24-11-10-17-18(24)20(22-13-21-17)26-16-9-5-8-15(12-16)23-19(25)14-6-3-2-4-7-14/h2-13H,1H3,(H,23,25)
InChIKeyFGMPNGRIDAWFLE-UHFFFAOYSA-N
MW344.37 g/mol
LogP4.01
Rot. Bonds4

About N-[3-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]benzamide

N-[3-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]benzamide (PubChem CID 52947137) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-[3-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]benzamide.

Molecular Properties

Compound NameN-[3-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]benzamide
PubChem CID52947137
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC NameN-[3-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]benzamide
SMILESCn1ccc2ncnc(Oc3cccc(NC(=O)c4ccccc4)c3)c21
InChIInChI=1S/C20H16N4O2/c1-24-11-10-17-18(24)20(22-13-21-17)26-16-9-5-8-15(12-16)23-19(25)14-6-3-2-4-7-14/h2-13H,1H3,(H,23,25)
InChIKeyFGMPNGRIDAWFLE-UHFFFAOYSA-N
XLogP4.01
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]benzamide?
The IUPAC name of N-[3-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]benzamide (CID 52947137) is N-[3-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]benzamide.
What is the SMILES notation for N-[3-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]benzamide?
The canonical SMILES for N-[3-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]benzamide is Cn1ccc2ncnc(Oc3cccc(NC(=O)c4ccccc4)c3)c21.
What is the InChIKey of N-[3-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]benzamide?
The InChIKey is FGMPNGRIDAWFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-24-11-10-17-18(24)20(22-13-21-17)26-16-9-5-8-15(12-16)23-19(25)14-6-3-2-4-7-14/h2-13H,1H3,(H,23,25).
What are the key properties of N-[3-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]benzamide?
N-[3-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]benzamide has a molecular weight of 344.37 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]benzamide is sourced from PubChem (CID 52947137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).