N-butyl-3-nitroimidazo[1,2-a]pyridin-2-amine

C11H14N4O2 — CID 11499626

IUPACN-butyl-3-nitroimidazo[1,2-a]pyridin-2-amine
SMILESCCCCNc1nc2ccccn2c1[N+](=O)[O-]
InChIInChI=1S/C11H14N4O2/c1-2-3-7-12-10-11(15(16)17)14-8-5-4-6-9(14)13-10/h4-6,8,12H,2-3,7H2,1H3
InChIKeyBQRLGYBVJVRHPP-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.45
Rot. Bonds5

About N-butyl-3-nitroimidazo[1,2-a]pyridin-2-amine

N-butyl-3-nitroimidazo[1,2-a]pyridin-2-amine (PubChem CID 11499626) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is N-butyl-3-nitroimidazo[1,2-a]pyridin-2-amine.

Molecular Properties

Compound NameN-butyl-3-nitroimidazo[1,2-a]pyridin-2-amine
PubChem CID11499626
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC NameN-butyl-3-nitroimidazo[1,2-a]pyridin-2-amine
SMILESCCCCNc1nc2ccccn2c1[N+](=O)[O-]
InChIInChI=1S/C11H14N4O2/c1-2-3-7-12-10-11(15(16)17)14-8-5-4-6-9(14)13-10/h4-6,8,12H,2-3,7H2,1H3
InChIKeyBQRLGYBVJVRHPP-UHFFFAOYSA-N
XLogP2.45
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 N-butyl-3-nitroimidazo[1,2-a]pyridin-2-amine?
The IUPAC name of N-butyl-3-nitroimidazo[1,2-a]pyridin-2-amine (CID 11499626) is N-butyl-3-nitroimidazo[1,2-a]pyridin-2-amine.
What is the SMILES notation for N-butyl-3-nitroimidazo[1,2-a]pyridin-2-amine?
The canonical SMILES for N-butyl-3-nitroimidazo[1,2-a]pyridin-2-amine is CCCCNc1nc2ccccn2c1[N+](=O)[O-].
What is the InChIKey of N-butyl-3-nitroimidazo[1,2-a]pyridin-2-amine?
The InChIKey is BQRLGYBVJVRHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-2-3-7-12-10-11(15(16)17)14-8-5-4-6-9(14)13-10/h4-6,8,12H,2-3,7H2,1H3.
What are the key properties of N-butyl-3-nitroimidazo[1,2-a]pyridin-2-amine?
N-butyl-3-nitroimidazo[1,2-a]pyridin-2-amine has a molecular weight of 234.26 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-nitroimidazo[1,2-a]pyridin-2-amine is sourced from PubChem (CID 11499626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).