3,5-dimethoxy-N-(7H-purin-6-yl)benzamide

C14H13N5O3 — CID 118727389

IUPAC3,5-dimethoxy-N-(7H-purin-6-yl)benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ncnc3nc[nH]c23)c1
InChIInChI=1S/C14H13N5O3/c1-21-9-3-8(4-10(5-9)22-2)14(20)19-13-11-12(16-6-15-11)17-7-18-13/h3-7H,1-2H3,(H2,15,16,17,18,19,20)
InChIKeyRKMQKDRABAAIJZ-UHFFFAOYSA-N
MW299.29 g/mol
LogP1.62
Rot. Bonds4

About 3,5-dimethoxy-N-(7H-purin-6-yl)benzamide

3,5-dimethoxy-N-(7H-purin-6-yl)benzamide (PubChem CID 118727389) has the molecular formula C14H13N5O3 and a molecular weight of 299.29 g/mol. Its IUPAC name is 3,5-dimethoxy-N-(7H-purin-6-yl)benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-(7H-purin-6-yl)benzamide
PubChem CID118727389
Molecular FormulaC14H13N5O3
Molecular Weight299.29 g/mol
Exact Mass299.10
IUPAC Name3,5-dimethoxy-N-(7H-purin-6-yl)benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ncnc3nc[nH]c23)c1
InChIInChI=1S/C14H13N5O3/c1-21-9-3-8(4-10(5-9)22-2)14(20)19-13-11-12(16-6-15-11)17-7-18-13/h3-7H,1-2H3,(H2,15,16,17,18,19,20)
InChIKeyRKMQKDRABAAIJZ-UHFFFAOYSA-N
XLogP1.62
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-(7H-purin-6-yl)benzamide?
The IUPAC name of 3,5-dimethoxy-N-(7H-purin-6-yl)benzamide (CID 118727389) is 3,5-dimethoxy-N-(7H-purin-6-yl)benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-(7H-purin-6-yl)benzamide?
The canonical SMILES for 3,5-dimethoxy-N-(7H-purin-6-yl)benzamide is COc1cc(OC)cc(C(=O)Nc2ncnc3nc[nH]c23)c1.
What is the InChIKey of 3,5-dimethoxy-N-(7H-purin-6-yl)benzamide?
The InChIKey is RKMQKDRABAAIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O3/c1-21-9-3-8(4-10(5-9)22-2)14(20)19-13-11-12(16-6-15-11)17-7-18-13/h3-7H,1-2H3,(H2,15,16,17,18,19,20).
What are the key properties of 3,5-dimethoxy-N-(7H-purin-6-yl)benzamide?
3,5-dimethoxy-N-(7H-purin-6-yl)benzamide has a molecular weight of 299.29 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-(7H-purin-6-yl)benzamide is sourced from PubChem (CID 118727389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).