N-[4-[(8-anilino-9-cyclopentylpurin-2-yl)amino]phenyl]acetamide

C24H25N7O — CID 71457188

IUPACN-[4-[(8-anilino-9-cyclopentylpurin-2-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CCCC4)c3n2)cc1
InChIInChI=1S/C24H25N7O/c1-16(32)26-18-11-13-19(14-12-18)27-23-25-15-21-22(30-23)31(20-9-5-6-10-20)24(29-21)28-17-7-3-2-4-8-17/h2-4,7-8,11-15,20H,5-6,9-10H2,1H3,(H,26,32)(H,28,29)(H,25,27,30)
InChIKeyRUNUKCKEYGDZLR-UHFFFAOYSA-N
MW427.51 g/mol
LogP5.39
Rot. Bonds6

About N-[4-[(8-anilino-9-cyclopentylpurin-2-yl)amino]phenyl]acetamide

N-[4-[(8-anilino-9-cyclopentylpurin-2-yl)amino]phenyl]acetamide (PubChem CID 71457188) has the molecular formula C24H25N7O and a molecular weight of 427.51 g/mol. Its IUPAC name is N-[4-[(8-anilino-9-cyclopentylpurin-2-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(8-anilino-9-cyclopentylpurin-2-yl)amino]phenyl]acetamide
PubChem CID71457188
Molecular FormulaC24H25N7O
Molecular Weight427.51 g/mol
Exact Mass427.21
IUPAC NameN-[4-[(8-anilino-9-cyclopentylpurin-2-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CCCC4)c3n2)cc1
InChIInChI=1S/C24H25N7O/c1-16(32)26-18-11-13-19(14-12-18)27-23-25-15-21-22(30-23)31(20-9-5-6-10-20)24(29-21)28-17-7-3-2-4-8-17/h2-4,7-8,11-15,20H,5-6,9-10H2,1H3,(H,26,32)(H,28,29)(H,25,27,30)
InChIKeyRUNUKCKEYGDZLR-UHFFFAOYSA-N
XLogP5.39
TPSA96.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.51
LogP ≤ 55.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(8-anilino-9-cyclopentylpurin-2-yl)amino]phenyl]acetamide?
The IUPAC name of N-[4-[(8-anilino-9-cyclopentylpurin-2-yl)amino]phenyl]acetamide (CID 71457188) is N-[4-[(8-anilino-9-cyclopentylpurin-2-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(8-anilino-9-cyclopentylpurin-2-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[4-[(8-anilino-9-cyclopentylpurin-2-yl)amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2ncc3nc(Nc4ccccc4)n(C4CCCC4)c3n2)cc1.
What is the InChIKey of N-[4-[(8-anilino-9-cyclopentylpurin-2-yl)amino]phenyl]acetamide?
The InChIKey is RUNUKCKEYGDZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O/c1-16(32)26-18-11-13-19(14-12-18)27-23-25-15-21-22(30-23)31(20-9-5-6-10-20)24(29-21)28-17-7-3-2-4-8-17/h2-4,7-8,11-15,20H,5-6,9-10H2,1H3,(H,26,32)(H,28,29)(H,25,27,30).
What are the key properties of N-[4-[(8-anilino-9-cyclopentylpurin-2-yl)amino]phenyl]acetamide?
N-[4-[(8-anilino-9-cyclopentylpurin-2-yl)amino]phenyl]acetamide has a molecular weight of 427.51 g/mol, XLogP of 5.39, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(8-anilino-9-cyclopentylpurin-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 71457188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).