4-ethyl-N-(9-methylpurin-6-yl)benzamide

C15H15N5O — CID 163496172

IUPAC4-ethyl-N-(9-methylpurin-6-yl)benzamide
SMILESCCc1ccc(C(=O)Nc2ncnc3c2ncn3C)cc1
InChIInChI=1S/C15H15N5O/c1-3-10-4-6-11(7-5-10)15(21)19-13-12-14(17-8-16-13)20(2)9-18-12/h4-9H,3H2,1-2H3,(H,16,17,19,21)
InChIKeyCQXGFBJZOIUCTN-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.18
Rot. Bonds3

About 4-ethyl-N-(9-methylpurin-6-yl)benzamide

4-ethyl-N-(9-methylpurin-6-yl)benzamide (PubChem CID 163496172) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 4-ethyl-N-(9-methylpurin-6-yl)benzamide.

Molecular Properties

Compound Name4-ethyl-N-(9-methylpurin-6-yl)benzamide
PubChem CID163496172
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name4-ethyl-N-(9-methylpurin-6-yl)benzamide
SMILESCCc1ccc(C(=O)Nc2ncnc3c2ncn3C)cc1
InChIInChI=1S/C15H15N5O/c1-3-10-4-6-11(7-5-10)15(21)19-13-12-14(17-8-16-13)20(2)9-18-12/h4-9H,3H2,1-2H3,(H,16,17,19,21)
InChIKeyCQXGFBJZOIUCTN-UHFFFAOYSA-N
XLogP2.18
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(9-methylpurin-6-yl)amino]propanoic acid
CID 14161254
N-[9-(3-methylhexan-3-yl)purin-6-yl]benzamide
CID 174164210
N-(4-cyano-1-methylpyrazol-3-yl)-4-ethylbenzamide
CID 115672371
N-[9-[3-[bis(hydroxymethyl)-methylsilyl]propyl]purin-6-yl]benzamide
CID 10524145
4-tert-butyl-N-[9-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide
CID 70169605
[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-[(4-methylbenzoyl)amino]purin-9-yl]oxolan-2-yl]methyl 4-methylbenzoate
CID 23278061
3-[(4-ethylbenzoyl)amino]pyrazine-2-carboxylic acid
CID 63262061
N-[9-[(2R,4R,5R)-5-ethyl-4-hydroxy-3-methyloxolan-2-yl]purin-6-yl]benzamide
CID 167636315
N-[9-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide;N-[9-[(2R,3S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]purin-6-yl]benzamide
CID 163478876
N-(4-ethylphenyl)-3-methyl-4-oxoquinazoline-7-carboxamide
CID 58574227
[3-[[(9-methylpurin-6-yl)amino]methyl]phenyl]methanol
CID 154735606
9-methyl-N-phenylmethoxypurin-6-amine
CID 14602815

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(9-methylpurin-6-yl)benzamide?
The IUPAC name of 4-ethyl-N-(9-methylpurin-6-yl)benzamide (CID 163496172) is 4-ethyl-N-(9-methylpurin-6-yl)benzamide.
What is the SMILES notation for 4-ethyl-N-(9-methylpurin-6-yl)benzamide?
The canonical SMILES for 4-ethyl-N-(9-methylpurin-6-yl)benzamide is CCc1ccc(C(=O)Nc2ncnc3c2ncn3C)cc1.
What is the InChIKey of 4-ethyl-N-(9-methylpurin-6-yl)benzamide?
The InChIKey is CQXGFBJZOIUCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-3-10-4-6-11(7-5-10)15(21)19-13-12-14(17-8-16-13)20(2)9-18-12/h4-9H,3H2,1-2H3,(H,16,17,19,21).
What are the key properties of 4-ethyl-N-(9-methylpurin-6-yl)benzamide?
4-ethyl-N-(9-methylpurin-6-yl)benzamide has a molecular weight of 281.32 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(9-methylpurin-6-yl)benzamide is sourced from PubChem (CID 163496172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).