N-phenyl-7H-purine-2-carboxamide

C12H9N5O — CID 151760861

IUPACN-phenyl-7H-purine-2-carboxamide
SMILESO=C(Nc1ccccc1)c1ncc2[nH]cnc2n1
InChIInChI=1S/C12H9N5O/c18-12(16-8-4-2-1-3-5-8)11-13-6-9-10(17-11)15-7-14-9/h1-7H,(H,16,18)(H,13,14,15,17)
InChIKeyRQNIVJNWXYDPGZ-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.61
Rot. Bonds2

About N-phenyl-7H-purine-2-carboxamide

N-phenyl-7H-purine-2-carboxamide (PubChem CID 151760861) has the molecular formula C12H9N5O and a molecular weight of 239.24 g/mol. Its IUPAC name is N-phenyl-7H-purine-2-carboxamide.

Molecular Properties

Compound NameN-phenyl-7H-purine-2-carboxamide
PubChem CID151760861
Molecular FormulaC12H9N5O
Molecular Weight239.24 g/mol
Exact Mass239.08
IUPAC NameN-phenyl-7H-purine-2-carboxamide
SMILESO=C(Nc1ccccc1)c1ncc2[nH]cnc2n1
InChIInChI=1S/C12H9N5O/c18-12(16-8-4-2-1-3-5-8)11-13-6-9-10(17-11)15-7-14-9/h1-7H,(H,16,18)(H,13,14,15,17)
InChIKeyRQNIVJNWXYDPGZ-UHFFFAOYSA-N
XLogP1.61
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(7H-purin-2-yl)prop-2-enoic acid
CID 175072639
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2-[(7H-purin-2-ylamino)methyl]phenol
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5-methyl-N-phenyl-1H-imidazole-2-carboxamide
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N-[4-[4-(3H-benzimidazole-5-carbonylamino)anilino]phenyl]-3H-benzimidazole-5-carboxamide
CID 67686736
N-(3-cyanophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 110864841
N-(3,4-dichlorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 110863998
N-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide
CID 28739583
N-(4-fluorophenyl)-1H-benzimidazole-4-carboxamide
CID 110700914
N-(4-ethoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide
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2-(7H-purin-2-ylmethoxy)ethyl benzoate
CID 154224855

Frequently Asked Questions

What is the IUPAC name of N-phenyl-7H-purine-2-carboxamide?
The IUPAC name of N-phenyl-7H-purine-2-carboxamide (CID 151760861) is N-phenyl-7H-purine-2-carboxamide.
What is the SMILES notation for N-phenyl-7H-purine-2-carboxamide?
The canonical SMILES for N-phenyl-7H-purine-2-carboxamide is O=C(Nc1ccccc1)c1ncc2[nH]cnc2n1.
What is the InChIKey of N-phenyl-7H-purine-2-carboxamide?
The InChIKey is RQNIVJNWXYDPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O/c18-12(16-8-4-2-1-3-5-8)11-13-6-9-10(17-11)15-7-14-9/h1-7H,(H,16,18)(H,13,14,15,17).
What are the key properties of N-phenyl-7H-purine-2-carboxamide?
N-phenyl-7H-purine-2-carboxamide has a molecular weight of 239.24 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-7H-purine-2-carboxamide is sourced from PubChem (CID 151760861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).