1-methyl-5-nitro-N-(pyridin-2-ylmethyl)imidazole-2-carboxamide

C11H11N5O3 — CID 134136682

IUPAC1-methyl-5-nitro-N-(pyridin-2-ylmethyl)imidazole-2-carboxamide
SMILESCn1c([N+](=O)[O-])cnc1C(=O)NCc1ccccn1
InChIInChI=1S/C11H11N5O3/c1-15-9(16(18)19)7-13-10(15)11(17)14-6-8-4-2-3-5-12-8/h2-5,7H,6H2,1H3,(H,14,17)
InChIKeyHUNMZWDXVGKVQM-UHFFFAOYSA-N
MW261.24 g/mol
LogP0.65
Rot. Bonds4

About 1-methyl-5-nitro-N-(pyridin-2-ylmethyl)imidazole-2-carboxamide

1-methyl-5-nitro-N-(pyridin-2-ylmethyl)imidazole-2-carboxamide (PubChem CID 134136682) has the molecular formula C11H11N5O3 and a molecular weight of 261.24 g/mol. Its IUPAC name is 1-methyl-5-nitro-N-(pyridin-2-ylmethyl)imidazole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-5-nitro-N-(pyridin-2-ylmethyl)imidazole-2-carboxamide
PubChem CID134136682
Molecular FormulaC11H11N5O3
Molecular Weight261.24 g/mol
Exact Mass261.09
IUPAC Name1-methyl-5-nitro-N-(pyridin-2-ylmethyl)imidazole-2-carboxamide
SMILESCn1c([N+](=O)[O-])cnc1C(=O)NCc1ccccn1
InChIInChI=1S/C11H11N5O3/c1-15-9(16(18)19)7-13-10(15)11(17)14-6-8-4-2-3-5-12-8/h2-5,7H,6H2,1H3,(H,14,17)
InChIKeyHUNMZWDXVGKVQM-UHFFFAOYSA-N
XLogP0.65
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-nitro-N-(pyridin-2-ylmethyl)imidazole-2-carboxamide?
The IUPAC name of 1-methyl-5-nitro-N-(pyridin-2-ylmethyl)imidazole-2-carboxamide (CID 134136682) is 1-methyl-5-nitro-N-(pyridin-2-ylmethyl)imidazole-2-carboxamide.
What is the SMILES notation for 1-methyl-5-nitro-N-(pyridin-2-ylmethyl)imidazole-2-carboxamide?
The canonical SMILES for 1-methyl-5-nitro-N-(pyridin-2-ylmethyl)imidazole-2-carboxamide is Cn1c([N+](=O)[O-])cnc1C(=O)NCc1ccccn1.
What is the InChIKey of 1-methyl-5-nitro-N-(pyridin-2-ylmethyl)imidazole-2-carboxamide?
The InChIKey is HUNMZWDXVGKVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O3/c1-15-9(16(18)19)7-13-10(15)11(17)14-6-8-4-2-3-5-12-8/h2-5,7H,6H2,1H3,(H,14,17).
What are the key properties of 1-methyl-5-nitro-N-(pyridin-2-ylmethyl)imidazole-2-carboxamide?
1-methyl-5-nitro-N-(pyridin-2-ylmethyl)imidazole-2-carboxamide has a molecular weight of 261.24 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-nitro-N-(pyridin-2-ylmethyl)imidazole-2-carboxamide is sourced from PubChem (CID 134136682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).