2-[8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]ethanamine

C16H16N4O2 — CID 28866412

IUPAC2-[8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]ethanamine
SMILESCc1cccn2c(CCN)c(-c3ccc([N+](=O)[O-])cc3)nc12
InChIInChI=1S/C16H16N4O2/c1-11-3-2-10-19-14(8-9-17)15(18-16(11)19)12-4-6-13(7-5-12)20(21)22/h2-7,10H,8-9,17H2,1H3
InChIKeyQKDDIDAOXSFUEQ-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.72
Rot. Bonds4

About 2-[8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]ethanamine

2-[8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]ethanamine (PubChem CID 28866412) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-[8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]ethanamine
PubChem CID28866412
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name2-[8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]ethanamine
SMILESCc1cccn2c(CCN)c(-c3ccc([N+](=O)[O-])cc3)nc12
InChIInChI=1S/C16H16N4O2/c1-11-3-2-10-19-14(8-9-17)15(18-16(11)19)12-4-6-13(7-5-12)20(21)22/h2-7,10H,8-9,17H2,1H3
InChIKeyQKDDIDAOXSFUEQ-UHFFFAOYSA-N
XLogP2.72
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
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 2-[8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]ethanamine?
The IUPAC name of 2-[8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]ethanamine (CID 28866412) is 2-[8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]ethanamine.
What is the SMILES notation for 2-[8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]ethanamine?
The canonical SMILES for 2-[8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]ethanamine is Cc1cccn2c(CCN)c(-c3ccc([N+](=O)[O-])cc3)nc12.
What is the InChIKey of 2-[8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]ethanamine?
The InChIKey is QKDDIDAOXSFUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-11-3-2-10-19-14(8-9-17)15(18-16(11)19)12-4-6-13(7-5-12)20(21)22/h2-7,10H,8-9,17H2,1H3.
What are the key properties of 2-[8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]ethanamine?
2-[8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]ethanamine has a molecular weight of 296.33 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]ethanamine is sourced from PubChem (CID 28866412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).