5-N-(6-amino-3-pyridinyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide

C11H12N6O2 — CID 118419223

IUPAC5-N-(6-amino-3-pyridinyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide
SMILESCN(C(=O)c1[nH]cnc1C(N)=O)c1ccc(N)nc1
InChIInChI=1S/C11H12N6O2/c1-17(6-2-3-7(12)14-4-6)11(19)9-8(10(13)18)15-5-16-9/h2-5H,1H3,(H2,12,14)(H2,13,18)(H,15,16)
InChIKeyGKSUPERILCMBPL-UHFFFAOYSA-N
MW260.26 g/mol
LogP-0.24
Rot. Bonds3

About 5-N-(6-amino-3-pyridinyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide

5-N-(6-amino-3-pyridinyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide (PubChem CID 118419223) has the molecular formula C11H12N6O2 and a molecular weight of 260.26 g/mol. Its IUPAC name is 5-N-(6-amino-3-pyridinyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(6-amino-3-pyridinyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide
PubChem CID118419223
Molecular FormulaC11H12N6O2
Molecular Weight260.26 g/mol
Exact Mass260.10
IUPAC Name5-N-(6-amino-3-pyridinyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide
SMILESCN(C(=O)c1[nH]cnc1C(N)=O)c1ccc(N)nc1
InChIInChI=1S/C11H12N6O2/c1-17(6-2-3-7(12)14-4-6)11(19)9-8(10(13)18)15-5-16-9/h2-5H,1H3,(H2,12,14)(H2,13,18)(H,15,16)
InChIKeyGKSUPERILCMBPL-UHFFFAOYSA-N
XLogP-0.24
TPSA130.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-(6-amino-3-pyridinyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 5-N-(6-amino-3-pyridinyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide (CID 118419223) is 5-N-(6-amino-3-pyridinyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 5-N-(6-amino-3-pyridinyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 5-N-(6-amino-3-pyridinyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide is CN(C(=O)c1[nH]cnc1C(N)=O)c1ccc(N)nc1.
What is the InChIKey of 5-N-(6-amino-3-pyridinyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide?
The InChIKey is GKSUPERILCMBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O2/c1-17(6-2-3-7(12)14-4-6)11(19)9-8(10(13)18)15-5-16-9/h2-5H,1H3,(H2,12,14)(H2,13,18)(H,15,16).
What are the key properties of 5-N-(6-amino-3-pyridinyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide?
5-N-(6-amino-3-pyridinyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide has a molecular weight of 260.26 g/mol, XLogP of -0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(6-amino-3-pyridinyl)-5-N-methyl-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 118419223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).