4-methoxy-N-(7H-purin-6-yl)benzamide

C13H11N5O2 — CID 9404764

IUPAC4-methoxy-N-(7H-purin-6-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ncnc3nc[nH]c23)cc1
InChIInChI=1S/C13H11N5O2/c1-20-9-4-2-8(3-5-9)13(19)18-12-10-11(15-6-14-10)16-7-17-12/h2-7H,1H3,(H2,14,15,16,17,18,19)
InChIKeyQSABPJKFCDBSJP-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.61
Rot. Bonds3

About 4-methoxy-N-(7H-purin-6-yl)benzamide

4-methoxy-N-(7H-purin-6-yl)benzamide (PubChem CID 9404764) has the molecular formula C13H11N5O2 and a molecular weight of 269.26 g/mol. Its IUPAC name is 4-methoxy-N-(7H-purin-6-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(7H-purin-6-yl)benzamide
PubChem CID9404764
Molecular FormulaC13H11N5O2
Molecular Weight269.26 g/mol
Exact Mass269.09
IUPAC Name4-methoxy-N-(7H-purin-6-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ncnc3nc[nH]c23)cc1
InChIInChI=1S/C13H11N5O2/c1-20-9-4-2-8(3-5-9)13(19)18-12-10-11(15-6-14-10)16-7-17-12/h2-7H,1H3,(H2,14,15,16,17,18,19)
InChIKeyQSABPJKFCDBSJP-UHFFFAOYSA-N
XLogP1.61
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Benzoimidazol-1-YL-(4-methoxy-phenyl)-methanone
CID 710646
N-(2-methoxybenzyl)-9H-purin-6-amine
CID 756722
2,6-Bis(4-methoxyphenyl)purine
CID 11493677
2-(4-methoxyphenyl)-6-phenyl-9H-purine
CID 11536774
N-1H-Benzimidazol-2-yl-4-methoxybenzamide
CID 2081294
9-butyl-6-{[(4-methoxyphenyl)methyl]amino}-9H-purine-2-carbonitrile
CID 24778439
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-methoxybenzamide
CID 2787162
8-(4-phenylmethoxyphenyl)-7H-purin-6-amine
CID 308538
N-[9-isopropyl-6-(4-methoxy-benzylamino)-9H-purin-2-yl]-isobutyramide
CID 16066740
N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3,4-dimethoxybenzamide
CID 24769779
2-(4-methoxyphenyl)-N-(4-methyl-3-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 57766728
N-(2,6-dimethylphenyl)-4-[[6-[4-(trifluoromethoxy)phenyl]-7H-purin-2-yl]amino]benzamide
CID 118706737

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(7H-purin-6-yl)benzamide?
The IUPAC name of 4-methoxy-N-(7H-purin-6-yl)benzamide (CID 9404764) is 4-methoxy-N-(7H-purin-6-yl)benzamide.
What is the SMILES notation for 4-methoxy-N-(7H-purin-6-yl)benzamide?
The canonical SMILES for 4-methoxy-N-(7H-purin-6-yl)benzamide is COc1ccc(C(=O)Nc2ncnc3nc[nH]c23)cc1.
What is the InChIKey of 4-methoxy-N-(7H-purin-6-yl)benzamide?
The InChIKey is QSABPJKFCDBSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2/c1-20-9-4-2-8(3-5-9)13(19)18-12-10-11(15-6-14-10)16-7-17-12/h2-7H,1H3,(H2,14,15,16,17,18,19).
What are the key properties of 4-methoxy-N-(7H-purin-6-yl)benzamide?
4-methoxy-N-(7H-purin-6-yl)benzamide has a molecular weight of 269.26 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(7H-purin-6-yl)benzamide is sourced from PubChem (CID 9404764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).