N-[(5R)-6-oxo-1,5-dihydropurin-2-yl]benzamide

C12H9N5O2 — CID 135890218

IUPACN-[(5R)-6-oxo-1,5-dihydropurin-2-yl]benzamide
SMILESO=C(NC1=NC2=NC=N[C@H]2C(=O)N1)c1ccccc1
InChIInChI=1S/C12H9N5O2/c18-10(7-4-2-1-3-5-7)16-12-15-9-8(11(19)17-12)13-6-14-9/h1-6,8H,(H2,13,14,15,16,17,18,19)/t8-/m1/s1
InChIKeyKVSXSVLUBYBPPJ-MRVPVSSYSA-N
MW255.24 g/mol
LogP-0.29
Rot. Bonds1

About N-[(5R)-6-oxo-1,5-dihydropurin-2-yl]benzamide

N-[(5R)-6-oxo-1,5-dihydropurin-2-yl]benzamide (PubChem CID 135890218) has the molecular formula C12H9N5O2 and a molecular weight of 255.24 g/mol. Its IUPAC name is N-[(5R)-6-oxo-1,5-dihydropurin-2-yl]benzamide.

Molecular Properties

Compound NameN-[(5R)-6-oxo-1,5-dihydropurin-2-yl]benzamide
PubChem CID135890218
Molecular FormulaC12H9N5O2
Molecular Weight255.24 g/mol
Exact Mass255.08
IUPAC NameN-[(5R)-6-oxo-1,5-dihydropurin-2-yl]benzamide
SMILESO=C(NC1=NC2=NC=N[C@H]2C(=O)N1)c1ccccc1
InChIInChI=1S/C12H9N5O2/c18-10(7-4-2-1-3-5-7)16-12-15-9-8(11(19)17-12)13-6-14-9/h1-6,8H,(H2,13,14,15,16,17,18,19)/t8-/m1/s1
InChIKeyKVSXSVLUBYBPPJ-MRVPVSSYSA-N
XLogP-0.29
TPSA95.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 47266240
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N-(4-oxo-3H-pyridin-2-yl)benzamide
CID 141021564
N-[(3aR,7aS)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]benzamide
CID 934867
benzoyl bromide
CID 12056
N-pyrimidin-2-ylbenzamide
CID 638481
N-(6-oxo-4-sulfanyl-1H-pyrimidin-5-yl)benzamide
CID 45086799
molecular hydrogen;N-phenylbenzamide
CID 145238042
N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzamide
CID 110405864
N-(3,6-dibromo-2-hydroxyphenyl)benzamide
CID 10690575
N-(1H-pyrazol-5-yl)benzamide
CID 23298723
N-(2-benzamido-1H-pyrrol-3-yl)benzamide
CID 68860160

Frequently Asked Questions

What is the IUPAC name of N-[(5R)-6-oxo-1,5-dihydropurin-2-yl]benzamide?
The IUPAC name of N-[(5R)-6-oxo-1,5-dihydropurin-2-yl]benzamide (CID 135890218) is N-[(5R)-6-oxo-1,5-dihydropurin-2-yl]benzamide.
What is the SMILES notation for N-[(5R)-6-oxo-1,5-dihydropurin-2-yl]benzamide?
The canonical SMILES for N-[(5R)-6-oxo-1,5-dihydropurin-2-yl]benzamide is O=C(NC1=NC2=NC=N[C@H]2C(=O)N1)c1ccccc1.
What is the InChIKey of N-[(5R)-6-oxo-1,5-dihydropurin-2-yl]benzamide?
The InChIKey is KVSXSVLUBYBPPJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H9N5O2/c18-10(7-4-2-1-3-5-7)16-12-15-9-8(11(19)17-12)13-6-14-9/h1-6,8H,(H2,13,14,15,16,17,18,19)/t8-/m1/s1.
What are the key properties of N-[(5R)-6-oxo-1,5-dihydropurin-2-yl]benzamide?
N-[(5R)-6-oxo-1,5-dihydropurin-2-yl]benzamide has a molecular weight of 255.24 g/mol, XLogP of -0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R)-6-oxo-1,5-dihydropurin-2-yl]benzamide is sourced from PubChem (CID 135890218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).