2-pyridin-3-yl-7H-purine-6-carboxamide

C11H8N6O — CID 154291599

IUPAC2-pyridin-3-yl-7H-purine-6-carboxamide
SMILESNC(=O)c1nc(-c2cccnc2)nc2nc[nH]c12
InChIInChI=1S/C11H8N6O/c12-9(18)7-8-11(15-5-14-8)17-10(16-7)6-2-1-3-13-4-6/h1-5H,(H2,12,18)(H,14,15,16,17)
InChIKeyMJEHMGFVYUMSTE-UHFFFAOYSA-N
MW240.23 g/mol
LogP0.51
Rot. Bonds2

About 2-pyridin-3-yl-7H-purine-6-carboxamide

2-pyridin-3-yl-7H-purine-6-carboxamide (PubChem CID 154291599) has the molecular formula C11H8N6O and a molecular weight of 240.23 g/mol. Its IUPAC name is 2-pyridin-3-yl-7H-purine-6-carboxamide.

Molecular Properties

Compound Name2-pyridin-3-yl-7H-purine-6-carboxamide
PubChem CID154291599
Molecular FormulaC11H8N6O
Molecular Weight240.23 g/mol
Exact Mass240.08
IUPAC Name2-pyridin-3-yl-7H-purine-6-carboxamide
SMILESNC(=O)c1nc(-c2cccnc2)nc2nc[nH]c12
InChIInChI=1S/C11H8N6O/c12-9(18)7-8-11(15-5-14-8)17-10(16-7)6-2-1-3-13-4-6/h1-5H,(H2,12,18)(H,14,15,16,17)
InChIKeyMJEHMGFVYUMSTE-UHFFFAOYSA-N
XLogP0.51
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

9-(4-methylphenyl)-8-oxo-2-pyridin-3-yl-7H-purine-6-carboxamide
CID 20960079
3-pyridin-3-ylpyrazine-2-carboxamide
CID 67325612
methanol;bis(7H-purin-6-amine);bis(pyridine-3-carboxamide)
CID 67811269
3-pyridin-3-ylpyrazine-2-carboxamide;hydrochloride
CID 140500185
9-(3-methoxyphenyl)-8-oxo-2-pyridin-3-yl-7H-purine-6-carboxamide
CID 7599621
3-pyridin-3-ylbenzamide;hydrochloride
CID 175813431
4-amino-6-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 116648034
hexane-1,2,3,4,5,6-hexol;7H-purin-6-amine;pyridine-3-carboxamide
CID 68901215
2-amino-3,7-dihydropurine-6-thione;pyridine-3-carboxamide
CID 87370042
hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;7H-purin-6-amine;pyridine-3-carboxamide
CID 162030735
N-acetylpyridine-3-carboxamide;7H-purin-6-amine
CID 66746855
4-fluoro-N-(2-pyridin-3-ylpyrimidin-5-yl)benzamide
CID 137419125

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-7H-purine-6-carboxamide?
The IUPAC name of 2-pyridin-3-yl-7H-purine-6-carboxamide (CID 154291599) is 2-pyridin-3-yl-7H-purine-6-carboxamide.
What is the SMILES notation for 2-pyridin-3-yl-7H-purine-6-carboxamide?
The canonical SMILES for 2-pyridin-3-yl-7H-purine-6-carboxamide is NC(=O)c1nc(-c2cccnc2)nc2nc[nH]c12.
What is the InChIKey of 2-pyridin-3-yl-7H-purine-6-carboxamide?
The InChIKey is MJEHMGFVYUMSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N6O/c12-9(18)7-8-11(15-5-14-8)17-10(16-7)6-2-1-3-13-4-6/h1-5H,(H2,12,18)(H,14,15,16,17).
What are the key properties of 2-pyridin-3-yl-7H-purine-6-carboxamide?
2-pyridin-3-yl-7H-purine-6-carboxamide has a molecular weight of 240.23 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-7H-purine-6-carboxamide is sourced from PubChem (CID 154291599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).