N-[8-(4-methoxyphenyl)-9-methylpurin-6-yl]benzamide

C20H17N5O2 — CID 172597021

IUPACN-[8-(4-methoxyphenyl)-9-methylpurin-6-yl]benzamide
SMILESCOc1ccc(-c2nc3c(NC(=O)c4ccccc4)ncnc3n2C)cc1
InChIInChI=1S/C20H17N5O2/c1-25-18(13-8-10-15(27-2)11-9-13)23-16-17(21-12-22-19(16)25)24-20(26)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,21,22,24,26)
InChIKeySCHVLRXYCAKFFI-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.29
Rot. Bonds4

About N-[8-(4-methoxyphenyl)-9-methylpurin-6-yl]benzamide

N-[8-(4-methoxyphenyl)-9-methylpurin-6-yl]benzamide (PubChem CID 172597021) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-[8-(4-methoxyphenyl)-9-methylpurin-6-yl]benzamide.

Molecular Properties

Compound NameN-[8-(4-methoxyphenyl)-9-methylpurin-6-yl]benzamide
PubChem CID172597021
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC NameN-[8-(4-methoxyphenyl)-9-methylpurin-6-yl]benzamide
SMILESCOc1ccc(-c2nc3c(NC(=O)c4ccccc4)ncnc3n2C)cc1
InChIInChI=1S/C20H17N5O2/c1-25-18(13-8-10-15(27-2)11-9-13)23-16-17(21-12-22-19(16)25)24-20(26)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,21,22,24,26)
InChIKeySCHVLRXYCAKFFI-UHFFFAOYSA-N
XLogP3.29
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-(4-methoxyphenyl)-9-methylpurin-6-amine
CID 69468314
N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]benzamide
CID 1096852
N-[9-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-8-bromopurin-6-yl]benzamide
CID 14656958
N-[1-ethyl-2-(4-methoxyphenyl)-6-oxopyrimidin-5-yl]benzamide
CID 142150656
2-[5-benzamido-2-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetic acid
CID 10293083
1-[5-(4-methoxyphenyl)-1-methyl-2-phenylimidazol-4-yl]ethanone
CID 132512555
N-[4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]benzamide
CID 20896233
N-[9-[3-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]cyclopentyl]purin-6-yl]benzamide
CID 14254918
N-[9-[(2R,3R,4S)-3,4-bis[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxetan-2-yl]purin-6-yl]benzamide
CID 10463457
N-[9-[(2R,3R,4R)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-4-fluoro-2-(hydroxymethyl)oxetan-2-yl]purin-6-yl]benzamide
CID 175033550
N-[9-[(1R,2S,3S)-2-(hydroxymethyl)-3-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-4-methylidenecyclobutyl]purin-6-yl]benzamide
CID 150293364
5-(4-methoxyphenyl)-N-(2-methylphenyl)-1,3-oxazole-4-carboxamide
CID 20963550

Frequently Asked Questions

What is the IUPAC name of N-[8-(4-methoxyphenyl)-9-methylpurin-6-yl]benzamide?
The IUPAC name of N-[8-(4-methoxyphenyl)-9-methylpurin-6-yl]benzamide (CID 172597021) is N-[8-(4-methoxyphenyl)-9-methylpurin-6-yl]benzamide.
What is the SMILES notation for N-[8-(4-methoxyphenyl)-9-methylpurin-6-yl]benzamide?
The canonical SMILES for N-[8-(4-methoxyphenyl)-9-methylpurin-6-yl]benzamide is COc1ccc(-c2nc3c(NC(=O)c4ccccc4)ncnc3n2C)cc1.
What is the InChIKey of N-[8-(4-methoxyphenyl)-9-methylpurin-6-yl]benzamide?
The InChIKey is SCHVLRXYCAKFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-25-18(13-8-10-15(27-2)11-9-13)23-16-17(21-12-22-19(16)25)24-20(26)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,21,22,24,26).
What are the key properties of N-[8-(4-methoxyphenyl)-9-methylpurin-6-yl]benzamide?
N-[8-(4-methoxyphenyl)-9-methylpurin-6-yl]benzamide has a molecular weight of 359.39 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(4-methoxyphenyl)-9-methylpurin-6-yl]benzamide is sourced from PubChem (CID 172597021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).