5-N-methyl-4-N-pyridin-2-yl-1H-imidazole-4,5-dicarboxamide

C11H11N5O2 — CID 851158

IUPAC5-N-methyl-4-N-pyridin-2-yl-1H-imidazole-4,5-dicarboxamide
SMILESCNC(=O)c1[nH]cnc1C(=O)Nc1ccccn1
InChIInChI=1S/C11H11N5O2/c1-12-10(17)8-9(15-6-14-8)11(18)16-7-4-2-3-5-13-7/h2-6H,1H3,(H,12,17)(H,14,15)(H,13,16,18)
InChIKeyXLFKYWMASYJTHP-UHFFFAOYSA-N
MW245.24 g/mol
LogP0.42
Rot. Bonds3

About 5-N-methyl-4-N-pyridin-2-yl-1H-imidazole-4,5-dicarboxamide

5-N-methyl-4-N-pyridin-2-yl-1H-imidazole-4,5-dicarboxamide (PubChem CID 851158) has the molecular formula C11H11N5O2 and a molecular weight of 245.24 g/mol. Its IUPAC name is 5-N-methyl-4-N-pyridin-2-yl-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name5-N-methyl-4-N-pyridin-2-yl-1H-imidazole-4,5-dicarboxamide
PubChem CID851158
Molecular FormulaC11H11N5O2
Molecular Weight245.24 g/mol
Exact Mass245.09
IUPAC Name5-N-methyl-4-N-pyridin-2-yl-1H-imidazole-4,5-dicarboxamide
SMILESCNC(=O)c1[nH]cnc1C(=O)Nc1ccccn1
InChIInChI=1S/C11H11N5O2/c1-12-10(17)8-9(15-6-14-8)11(18)16-7-4-2-3-5-13-7/h2-6H,1H3,(H,12,17)(H,14,15)(H,13,16,18)
InChIKeyXLFKYWMASYJTHP-UHFFFAOYSA-N
XLogP0.42
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-methyl-4-N-pyridin-2-yl-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 5-N-methyl-4-N-pyridin-2-yl-1H-imidazole-4,5-dicarboxamide (CID 851158) is 5-N-methyl-4-N-pyridin-2-yl-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 5-N-methyl-4-N-pyridin-2-yl-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 5-N-methyl-4-N-pyridin-2-yl-1H-imidazole-4,5-dicarboxamide is CNC(=O)c1[nH]cnc1C(=O)Nc1ccccn1.
What is the InChIKey of 5-N-methyl-4-N-pyridin-2-yl-1H-imidazole-4,5-dicarboxamide?
The InChIKey is XLFKYWMASYJTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2/c1-12-10(17)8-9(15-6-14-8)11(18)16-7-4-2-3-5-13-7/h2-6H,1H3,(H,12,17)(H,14,15)(H,13,16,18).
What are the key properties of 5-N-methyl-4-N-pyridin-2-yl-1H-imidazole-4,5-dicarboxamide?
5-N-methyl-4-N-pyridin-2-yl-1H-imidazole-4,5-dicarboxamide has a molecular weight of 245.24 g/mol, XLogP of 0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-methyl-4-N-pyridin-2-yl-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 851158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).