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

C20H16N4O2 — CID 52949618

IUPACN-[4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]benzamide
SMILESCn1ccc2ncnc(Oc3ccc(NC(=O)c4ccccc4)cc3)c21
InChIInChI=1S/C20H16N4O2/c1-24-12-11-17-18(24)20(22-13-21-17)26-16-9-7-15(8-10-16)23-19(25)14-5-3-2-4-6-14/h2-13H,1H3,(H,23,25)
InChIKeyNSQYNEMRLNGHTF-UHFFFAOYSA-N
MW344.37 g/mol
LogP4.01
Rot. Bonds4

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

N-[4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]benzamide (PubChem CID 52949618) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-[4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]benzamide.

Molecular Properties

Compound NameN-[4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]benzamide
PubChem CID52949618
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC NameN-[4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]benzamide
SMILESCn1ccc2ncnc(Oc3ccc(NC(=O)c4ccccc4)cc3)c21
InChIInChI=1S/C20H16N4O2/c1-24-12-11-17-18(24)20(22-13-21-17)26-16-9-7-15(8-10-16)23-19(25)14-5-3-2-4-6-14/h2-13H,1H3,(H,23,25)
InChIKeyNSQYNEMRLNGHTF-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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Related Compounds

CID 59351313
CID 59351313
CID 16095342
CID 16095342
CID 15949613
CID 15949613
CID 16099846
CID 16099846
CID 16099847
CID 16099847
CID 16099848
CID 16099848
CID 16099860
CID 16099860
CID 16099861
CID 16099861
CID 11339681
CID 11339681
CID 11489166
CID 11489166
CID 16099859
CID 16099859
CID 21037364
CID 21037364

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]benzamide?
The IUPAC name of N-[4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]benzamide (CID 52949618) is N-[4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]benzamide.
What is the SMILES notation for N-[4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]benzamide?
The canonical SMILES for N-[4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]benzamide is Cn1ccc2ncnc(Oc3ccc(NC(=O)c4ccccc4)cc3)c21.
What is the InChIKey of N-[4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]benzamide?
The InChIKey is NSQYNEMRLNGHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-24-12-11-17-18(24)20(22-13-21-17)26-16-9-7-15(8-10-16)23-19(25)14-5-3-2-4-6-14/h2-13H,1H3,(H,23,25).
What are the key properties of N-[4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]benzamide?
N-[4-(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-[4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyphenyl]benzamide is sourced from PubChem (CID 52949618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).