4-methyl-N-(7H-purin-6-yl)benzamide;N-methyl-N-(7H-purin-6-yl)benzamide;3-methyl-N-(7H-purin-6-yl)but-2-enamide;2-phenyl-N-(7H-purin-6-yl)acetamide;N-(7H-purin-6-yl)hexanamide

C60H59N25O5 — CID 157312780

IUPAC4-methyl-N-(7H-purin-6-yl)benzamide;N-methyl-N-(7H-purin-6-yl)benzamide;3-methyl-N-(7H-purin-6-yl)but-2-enamide;2-phenyl-N-(7H-purin-6-yl)acetamide;N-(7H-purin-6-yl)hexanamide
SMILESCC(C)=CC(=O)Nc1ncnc2nc[nH]c12.CCCCCC(=O)Nc1ncnc2nc[nH]c12.CN(C(=O)c1ccccc1)c1ncnc2nc[nH]c12.Cc1ccc(C(=O)Nc2ncnc3nc[nH]c23)cc1.O=C(Cc1ccccc1)Nc1ncnc2nc[nH]c12
InChIInChI=1S/3C13H11N5O.C11H15N5O.C10H11N5O/c1-8-2-4-9(5-3-8)13(19)18-12-10-11(15-6-14-10)16-7-17-12;1-18(13(19)9-5-3-2-4-6-9)12-10-11(15-7-14-10)16-8-17-12;19-10(6-9-4-2-1-3-5-9)18-13-11-12(15-7-14-11)16-8-17-13;1-2-3-4-5-8(17)16-11-9-10(13-6-12-9)14-7-15-11;1-6(2)3-7(16)15-10-8-9(12-4-11-8)13-5-14-10/h2-7H,1H3,(H2,14,15,16,17,18,19);2-8H,1H3,(H,14,15,16,17);1-5,7-8H,6H2,(H2,14,15,16,17,18,19);6-7H,2-5H2,1H3,(H2,12,13,14,15,16,17);3-5H,1-2H3,(H2,11,12,13,14,15,16)
InChIKeyBDFSTNRYEHVCNC-UHFFFAOYSA-N
MW1210.30 g/mol
LogP8.21
Rot. Bonds14

About 4-methyl-N-(7H-purin-6-yl)benzamide;N-methyl-N-(7H-purin-6-yl)benzamide;3-methyl-N-(7H-purin-6-yl)but-2-enamide;2-phenyl-N-(7H-purin-6-yl)acetamide;N-(7H-purin-6-yl)hexanamide

4-methyl-N-(7H-purin-6-yl)benzamide;N-methyl-N-(7H-purin-6-yl)benzamide;3-methyl-N-(7H-purin-6-yl)but-2-enamide;2-phenyl-N-(7H-purin-6-yl)acetamide;N-(7H-purin-6-yl)hexanamide (PubChem CID 157312780) has the molecular formula C60H59N25O5 and a molecular weight of 1210.30 g/mol. Its IUPAC name is 4-methyl-N-(7H-purin-6-yl)benzamide;N-methyl-N-(7H-purin-6-yl)benzamide;3-methyl-N-(7H-purin-6-yl)but-2-enamide;2-phenyl-N-(7H-purin-6-yl)acetamide;N-(7H-purin-6-yl)hexanamide.

Molecular Properties

Compound Name4-methyl-N-(7H-purin-6-yl)benzamide;N-methyl-N-(7H-purin-6-yl)benzamide;3-methyl-N-(7H-purin-6-yl)but-2-enamide;2-phenyl-N-(7H-purin-6-yl)acetamide;N-(7H-purin-6-yl)hexanamide
PubChem CID157312780
Molecular FormulaC60H59N25O5
Molecular Weight1210.30 g/mol
Exact Mass1209.51
IUPAC Name4-methyl-N-(7H-purin-6-yl)benzamide;N-methyl-N-(7H-purin-6-yl)benzamide;3-methyl-N-(7H-purin-6-yl)but-2-enamide;2-phenyl-N-(7H-purin-6-yl)acetamide;N-(7H-purin-6-yl)hexanamide
SMILESCC(C)=CC(=O)Nc1ncnc2nc[nH]c12.CCCCCC(=O)Nc1ncnc2nc[nH]c12.CN(C(=O)c1ccccc1)c1ncnc2nc[nH]c12.Cc1ccc(C(=O)Nc2ncnc3nc[nH]c23)cc1.O=C(Cc1ccccc1)Nc1ncnc2nc[nH]c12
InChIInChI=1S/3C13H11N5O.C11H15N5O.C10H11N5O/c1-8-2-4-9(5-3-8)13(19)18-12-10-11(15-6-14-10)16-7-17-12;1-18(13(19)9-5-3-2-4-6-9)12-10-11(15-7-14-10)16-8-17-12;19-10(6-9-4-2-1-3-5-9)18-13-11-12(15-7-14-11)16-8-17-13;1-2-3-4-5-8(17)16-11-9-10(13-6-12-9)14-7-15-11;1-6(2)3-7(16)15-10-8-9(12-4-11-8)13-5-14-10/h2-7H,1H3,(H2,14,15,16,17,18,19);2-8H,1H3,(H,14,15,16,17);1-5,7-8H,6H2,(H2,14,15,16,17,18,19);6-7H,2-5H2,1H3,(H2,12,13,14,15,16,17);3-5H,1-2H3,(H2,11,12,13,14,15,16)
InChIKeyBDFSTNRYEHVCNC-UHFFFAOYSA-N
XLogP8.21
TPSA409.01 Ų
H-Bond Donors9
H-Bond Acceptors20
Rotatable Bonds14
Heavy Atoms90
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001210.30
LogP ≤ 58.21
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-methyl-N-(7H-purin-6-yl)benzamide;N-methyl-N-(7H-purin-6-yl)benzamide;3-methyl-N-(7H-purin-6-yl)but-2-enamide;2-phenyl-N-(7H-purin-6-yl)acetamide;N-(7H-purin-6-yl)hexanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(7H-purin-6-yl)benzamide;N-methyl-N-(7H-purin-6-yl)benzamide;3-methyl-N-(7H-purin-6-yl)but-2-enamide;2-phenyl-N-(7H-purin-6-yl)acetamide;N-(7H-purin-6-yl)hexanamide?
The IUPAC name of 4-methyl-N-(7H-purin-6-yl)benzamide;N-methyl-N-(7H-purin-6-yl)benzamide;3-methyl-N-(7H-purin-6-yl)but-2-enamide;2-phenyl-N-(7H-purin-6-yl)acetamide;N-(7H-purin-6-yl)hexanamide (CID 157312780) is 4-methyl-N-(7H-purin-6-yl)benzamide;N-methyl-N-(7H-purin-6-yl)benzamide;3-methyl-N-(7H-purin-6-yl)but-2-enamide;2-phenyl-N-(7H-purin-6-yl)acetamide;N-(7H-purin-6-yl)hexanamide.
What is the SMILES notation for 4-methyl-N-(7H-purin-6-yl)benzamide;N-methyl-N-(7H-purin-6-yl)benzamide;3-methyl-N-(7H-purin-6-yl)but-2-enamide;2-phenyl-N-(7H-purin-6-yl)acetamide;N-(7H-purin-6-yl)hexanamide?
The canonical SMILES for 4-methyl-N-(7H-purin-6-yl)benzamide;N-methyl-N-(7H-purin-6-yl)benzamide;3-methyl-N-(7H-purin-6-yl)but-2-enamide;2-phenyl-N-(7H-purin-6-yl)acetamide;N-(7H-purin-6-yl)hexanamide is CC(C)=CC(=O)Nc1ncnc2nc[nH]c12.CCCCCC(=O)Nc1ncnc2nc[nH]c12.CN(C(=O)c1ccccc1)c1ncnc2nc[nH]c12.Cc1ccc(C(=O)Nc2ncnc3nc[nH]c23)cc1.O=C(Cc1ccccc1)Nc1ncnc2nc[nH]c12.
What is the InChIKey of 4-methyl-N-(7H-purin-6-yl)benzamide;N-methyl-N-(7H-purin-6-yl)benzamide;3-methyl-N-(7H-purin-6-yl)but-2-enamide;2-phenyl-N-(7H-purin-6-yl)acetamide;N-(7H-purin-6-yl)hexanamide?
The InChIKey is BDFSTNRYEHVCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C13H11N5O.C11H15N5O.C10H11N5O/c1-8-2-4-9(5-3-8)13(19)18-12-10-11(15-6-14-10)16-7-17-12;1-18(13(19)9-5-3-2-4-6-9)12-10-11(15-7-14-10)16-8-17-12;19-10(6-9-4-2-1-3-5-9)18-13-11-12(15-7-14-11)16-8-17-13;1-2-3-4-5-8(17)16-11-9-10(13-6-12-9)14-7-15-11;1-6(2)3-7(16)15-10-8-9(12-4-11-8)13-5-14-10/h2-7H,1H3,(H2,14,15,16,17,18,19);2-8H,1H3,(H,14,15,16,17);1-5,7-8H,6H2,(H2,14,15,16,17,18,19);6-7H,2-5H2,1H3,(H2,12,13,14,15,16,17);3-5H,1-2H3,(H2,11,12,13,14,15,16).
What are the key properties of 4-methyl-N-(7H-purin-6-yl)benzamide;N-methyl-N-(7H-purin-6-yl)benzamide;3-methyl-N-(7H-purin-6-yl)but-2-enamide;2-phenyl-N-(7H-purin-6-yl)acetamide;N-(7H-purin-6-yl)hexanamide?
4-methyl-N-(7H-purin-6-yl)benzamide;N-methyl-N-(7H-purin-6-yl)benzamide;3-methyl-N-(7H-purin-6-yl)but-2-enamide;2-phenyl-N-(7H-purin-6-yl)acetamide;N-(7H-purin-6-yl)hexanamide has a molecular weight of 1210.30 g/mol, XLogP of 8.21, 14 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(7H-purin-6-yl)benzamide;N-methyl-N-(7H-purin-6-yl)benzamide;3-methyl-N-(7H-purin-6-yl)but-2-enamide;2-phenyl-N-(7H-purin-6-yl)acetamide;N-(7H-purin-6-yl)hexanamide is sourced from PubChem (CID 157312780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).