N-[2-methyl-5-(7H-purin-6-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide

C25H20N6O2 — CID 67378301

IUPACN-[2-methyl-5-(7H-purin-6-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
SMILESCc1ccc(-c2ncnc3nc[nH]c23)cc1NC(=O)c1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C25H20N6O2/c1-16-5-6-18(22-23-24(29-14-27-22)30-15-28-23)12-21(16)31-25(32)17-7-9-20(10-8-17)33-13-19-4-2-3-11-26-19/h2-12,14-15H,13H2,1H3,(H,31,32)(H,27,28,29,30)
InChIKeyUGRDXUPKHPRFPG-UHFFFAOYSA-N
MW436.48 g/mol
LogP4.55
Rot. Bonds6

About N-[2-methyl-5-(7H-purin-6-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide

N-[2-methyl-5-(7H-purin-6-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide (PubChem CID 67378301) has the molecular formula C25H20N6O2 and a molecular weight of 436.48 g/mol. Its IUPAC name is N-[2-methyl-5-(7H-purin-6-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[2-methyl-5-(7H-purin-6-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
PubChem CID67378301
Molecular FormulaC25H20N6O2
Molecular Weight436.48 g/mol
Exact Mass436.16
IUPAC NameN-[2-methyl-5-(7H-purin-6-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
SMILESCc1ccc(-c2ncnc3nc[nH]c23)cc1NC(=O)c1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C25H20N6O2/c1-16-5-6-18(22-23-24(29-14-27-22)30-15-28-23)12-21(16)31-25(32)17-7-9-20(10-8-17)33-13-19-4-2-3-11-26-19/h2-12,14-15H,13H2,1H3,(H,31,32)(H,27,28,29,30)
InChIKeyUGRDXUPKHPRFPG-UHFFFAOYSA-N
XLogP4.55
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(7H-purin-6-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide?
The IUPAC name of N-[2-methyl-5-(7H-purin-6-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide (CID 67378301) is N-[2-methyl-5-(7H-purin-6-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[2-methyl-5-(7H-purin-6-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide?
The canonical SMILES for N-[2-methyl-5-(7H-purin-6-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide is Cc1ccc(-c2ncnc3nc[nH]c23)cc1NC(=O)c1ccc(OCc2ccccn2)cc1.
What is the InChIKey of N-[2-methyl-5-(7H-purin-6-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide?
The InChIKey is UGRDXUPKHPRFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O2/c1-16-5-6-18(22-23-24(29-14-27-22)30-15-28-23)12-21(16)31-25(32)17-7-9-20(10-8-17)33-13-19-4-2-3-11-26-19/h2-12,14-15H,13H2,1H3,(H,31,32)(H,27,28,29,30).
What are the key properties of N-[2-methyl-5-(7H-purin-6-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide?
N-[2-methyl-5-(7H-purin-6-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide has a molecular weight of 436.48 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(7H-purin-6-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide is sourced from PubChem (CID 67378301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).