N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine

C17H16N4O2 — CID 51112547

IUPACN-(2,3-dihydro-1H-inden-1-yl)-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine
SMILESCN(c1nc2ccccn2c1[N+](=O)[O-])C1CCc2ccccc21
InChIInChI=1S/C17H16N4O2/c1-19(14-10-9-12-6-2-3-7-13(12)14)16-17(21(22)23)20-11-5-4-8-15(20)18-16/h2-8,11,14H,9-10H2,1H3
InChIKeyRQJLVFHWOFLEMB-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.37
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine

N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine (PubChem CID 51112547) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine
PubChem CID51112547
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine
SMILESCN(c1nc2ccccn2c1[N+](=O)[O-])C1CCc2ccccc21
InChIInChI=1S/C17H16N4O2/c1-19(14-10-9-12-6-2-3-7-13(12)14)16-17(21(22)23)20-11-5-4-8-15(20)18-16/h2-8,11,14H,9-10H2,1H3
InChIKeyRQJLVFHWOFLEMB-UHFFFAOYSA-N
XLogP3.37
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine (CID 51112547) is N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine is CN(c1nc2ccccn2c1[N+](=O)[O-])C1CCc2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine?
The InChIKey is RQJLVFHWOFLEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-19(14-10-9-12-6-2-3-7-13(12)14)16-17(21(22)23)20-11-5-4-8-15(20)18-16/h2-8,11,14H,9-10H2,1H3.
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine?
N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine has a molecular weight of 308.34 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine is sourced from PubChem (CID 51112547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).