N-(6-aminopurin-9-yl)pyridine-3-carboxamide

C11H9N7O — CID 57322773

IUPACN-(6-aminopurin-9-yl)pyridine-3-carboxamide
SMILESNc1ncnc2c1ncn2NC(=O)c1cccnc1
InChIInChI=1S/C11H9N7O/c12-9-8-10(15-5-14-9)18(6-16-8)17-11(19)7-2-1-3-13-4-7/h1-6H,(H,17,19)(H2,12,14,15)
InChIKeyPSXYNWXXZHLBCI-UHFFFAOYSA-N
MW255.24 g/mol
LogP0.19
Rot. Bonds2

About N-(6-aminopurin-9-yl)pyridine-3-carboxamide

N-(6-aminopurin-9-yl)pyridine-3-carboxamide (PubChem CID 57322773) has the molecular formula C11H9N7O and a molecular weight of 255.24 g/mol. Its IUPAC name is N-(6-aminopurin-9-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-aminopurin-9-yl)pyridine-3-carboxamide
PubChem CID57322773
Molecular FormulaC11H9N7O
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC NameN-(6-aminopurin-9-yl)pyridine-3-carboxamide
SMILESNc1ncnc2c1ncn2NC(=O)c1cccnc1
InChIInChI=1S/C11H9N7O/c12-9-8-10(15-5-14-9)18(6-16-8)17-11(19)7-2-1-3-13-4-7/h1-6H,(H,17,19)(H2,12,14,15)
InChIKeyPSXYNWXXZHLBCI-UHFFFAOYSA-N
XLogP0.19
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(6-aminopurin-9-yl)urea
CID 57269838
N-[(2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-3-carboxamide
CID 67710729
N'-[5-amino-6-[2-(pyridine-3-carbonyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151889
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;1-pyridin-3-ylethanone
CID 70497378
N'-[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19150633
N'-[5-amino-6-(methylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19135090
N'-[5-amino-6-[2-(4-fluorobenzoyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151134
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;pyridine-3-carboxamide
CID 87161346
N-(1,3,5-triazin-2-yl)pyridine-3-carboxamide
CID 70617129
N'-[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151902
N'-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19135674
N-methylpyridine-3-carboxamide chloride
CID 20976730

Frequently Asked Questions

What is the IUPAC name of N-(6-aminopurin-9-yl)pyridine-3-carboxamide?
The IUPAC name of N-(6-aminopurin-9-yl)pyridine-3-carboxamide (CID 57322773) is N-(6-aminopurin-9-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(6-aminopurin-9-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(6-aminopurin-9-yl)pyridine-3-carboxamide is Nc1ncnc2c1ncn2NC(=O)c1cccnc1.
What is the InChIKey of N-(6-aminopurin-9-yl)pyridine-3-carboxamide?
The InChIKey is PSXYNWXXZHLBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N7O/c12-9-8-10(15-5-14-9)18(6-16-8)17-11(19)7-2-1-3-13-4-7/h1-6H,(H,17,19)(H2,12,14,15).
What are the key properties of N-(6-aminopurin-9-yl)pyridine-3-carboxamide?
N-(6-aminopurin-9-yl)pyridine-3-carboxamide has a molecular weight of 255.24 g/mol, XLogP of 0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminopurin-9-yl)pyridine-3-carboxamide is sourced from PubChem (CID 57322773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).