3,4-dimethoxy-N-(7H-purin-6-yl)benzamide

C14H13N5O3 — CID 118727390

IUPAC3,4-dimethoxy-N-(7H-purin-6-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ncnc3nc[nH]c23)cc1OC
InChIInChI=1S/C14H13N5O3/c1-21-9-4-3-8(5-10(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)
InChIKeyPLTVWQKGWYPRCW-UHFFFAOYSA-N
MW299.29 g/mol
LogP1.62
Rot. Bonds4

About 3,4-dimethoxy-N-(7H-purin-6-yl)benzamide

3,4-dimethoxy-N-(7H-purin-6-yl)benzamide (PubChem CID 118727390) has the molecular formula C14H13N5O3 and a molecular weight of 299.29 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(7H-purin-6-yl)benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(7H-purin-6-yl)benzamide
PubChem CID118727390
Molecular FormulaC14H13N5O3
Molecular Weight299.29 g/mol
Exact Mass299.10
IUPAC Name3,4-dimethoxy-N-(7H-purin-6-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ncnc3nc[nH]c23)cc1OC
InChIInChI=1S/C14H13N5O3/c1-21-9-4-3-8(5-10(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)
InChIKeyPLTVWQKGWYPRCW-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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Related Compounds

N~6~-[2-(3,4-dimethoxyphenyl)ethyl]-9H-purine-2,6-diamine
CID 16409604
N-(1H-benzimidazol-2-ylmethyl)-3,4-dimethoxybenzamide
CID 751094
N-[2-(1H-benzimidazol-2-yl)phenyl]-3,4-dimethoxybenzamide
CID 17497689
N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3,4-dimethoxybenzamide
CID 24769779
2-amino-N-[3-[[6-(3,4-dimethoxyphenyl)-7H-purin-2-yl]amino]phenyl]acetamide
CID 57396924
N-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 57538993
2,4,5-trimethoxy-N-(7H-purin-6-yl)benzamide
CID 118727403
Adenine,6N-P-methoxybenzyl
CID 756674
N-[2-(3,4-dimethoxyphenyl)ethyl]-9H-purin-6-amine
CID 756683
N-[(3-ethoxy-4-methoxyphenyl)methyl]-7H-purin-6-amine
CID 2155096
N-[2-(1-ethyl-1H-benzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 3237594
3,4-dimethoxy-N-({8-methylimidazo[1,2-a]pyridin-2-yl}methyl)benzamide
CID 3547707

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(7H-purin-6-yl)benzamide?
The IUPAC name of 3,4-dimethoxy-N-(7H-purin-6-yl)benzamide (CID 118727390) is 3,4-dimethoxy-N-(7H-purin-6-yl)benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-(7H-purin-6-yl)benzamide?
The canonical SMILES for 3,4-dimethoxy-N-(7H-purin-6-yl)benzamide is COc1ccc(C(=O)Nc2ncnc3nc[nH]c23)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(7H-purin-6-yl)benzamide?
The InChIKey is PLTVWQKGWYPRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O3/c1-21-9-4-3-8(5-10(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 3,4-dimethoxy-N-(7H-purin-6-yl)benzamide?
3,4-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 3,4-dimethoxy-N-(7H-purin-6-yl)benzamide is sourced from PubChem (CID 118727390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).