6-[2-[6-(6-cyanopurin-9-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid

C20H15N7O2 — CID 59645947

IUPAC6-[2-[6-(6-cyanopurin-9-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid
SMILESCC(C)(c1cccc(C(=O)O)n1)c1cccc(-n2cnc3c(C#N)ncnc32)n1
InChIInChI=1S/C20H15N7O2/c1-20(2,14-6-3-5-12(25-14)19(28)29)15-7-4-8-16(26-15)27-11-24-17-13(9-21)22-10-23-18(17)27/h3-8,10-11H,1-2H3,(H,28,29)
InChIKeyVEDKZDCILKORSR-UHFFFAOYSA-N
MW385.39 g/mol
LogP2.50
Rot. Bonds4

About 6-[2-[6-(6-cyanopurin-9-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid

6-[2-[6-(6-cyanopurin-9-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid (PubChem CID 59645947) has the molecular formula C20H15N7O2 and a molecular weight of 385.39 g/mol. Its IUPAC name is 6-[2-[6-(6-cyanopurin-9-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-[6-(6-cyanopurin-9-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid
PubChem CID59645947
Molecular FormulaC20H15N7O2
Molecular Weight385.39 g/mol
Exact Mass385.13
IUPAC Name6-[2-[6-(6-cyanopurin-9-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid
SMILESCC(C)(c1cccc(C(=O)O)n1)c1cccc(-n2cnc3c(C#N)ncnc32)n1
InChIInChI=1S/C20H15N7O2/c1-20(2,14-6-3-5-12(25-14)19(28)29)15-7-4-8-16(26-15)27-11-24-17-13(9-21)22-10-23-18(17)27/h3-8,10-11H,1-2H3,(H,28,29)
InChIKeyVEDKZDCILKORSR-UHFFFAOYSA-N
XLogP2.50
TPSA130.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[2-[6-(6-cyanopurin-9-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid with MolForge

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Related Compounds

6-[bis[6-(3-tert-butyl-1,2,4-triazol-1-yl)-2-pyridinyl]-(6-carboxy-2-pyridinyl)methyl]pyridine-2-carboxylic acid
CID 59342930
6-(2-methyl-3-oxobutan-2-yl)pyridine-2-carboxylic acid
CID 118860112
6-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]pyridine-2-carboxylic acid
CID 122047879
6-(4,5-dicyanoimidazol-1-yl)-2-methylpyridine-3-carboxylic acid
CID 112595037
platinum;6-[2-(3-pyridin-2-yloxybenzene-2-id-1-yl)propan-2-yl]pyridine-2-carboxylic acid
CID 58709003
CID 91986542
CID 91986542
1-(3-cyanophenyl)imidazole-4-carboxylic acid
CID 69379074
6-(4-tert-butylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 55053326
tert-butyl 2-(4-cyanopyrrolo[2,3-d]pyrimidin-7-yl)acetate
CID 130299669
6-cyano-5-sulfanylpyridine-2-carboxylic acid
CID 131210160
6-(3,3-dimethylbutoxy)pyridine-2-carboxylic acid
CID 66231549
2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;palladium(2+)
CID 54687240

Frequently Asked Questions

What is the IUPAC name of 6-[2-[6-(6-cyanopurin-9-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[2-[6-(6-cyanopurin-9-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid (CID 59645947) is 6-[2-[6-(6-cyanopurin-9-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[2-[6-(6-cyanopurin-9-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[2-[6-(6-cyanopurin-9-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid is CC(C)(c1cccc(C(=O)O)n1)c1cccc(-n2cnc3c(C#N)ncnc32)n1.
What is the InChIKey of 6-[2-[6-(6-cyanopurin-9-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid?
The InChIKey is VEDKZDCILKORSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N7O2/c1-20(2,14-6-3-5-12(25-14)19(28)29)15-7-4-8-16(26-15)27-11-24-17-13(9-21)22-10-23-18(17)27/h3-8,10-11H,1-2H3,(H,28,29).
What are the key properties of 6-[2-[6-(6-cyanopurin-9-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid?
6-[2-[6-(6-cyanopurin-9-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid has a molecular weight of 385.39 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[6-(6-cyanopurin-9-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 59645947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).