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

C15H14N4O2 — CID 39199222

IUPAC[5-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
SMILESCc1cccc2nc(-c3ccc([N+](=O)[O-])cc3)c(CN)n12
InChIInChI=1S/C15H14N4O2/c1-10-3-2-4-14-17-15(13(9-16)18(10)14)11-5-7-12(8-6-11)19(20)21/h2-8H,9,16H2,1H3
InChIKeyKDAQDTQBJHCBMA-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.68
Rot. Bonds3

About [5-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine

[5-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine (PubChem CID 39199222) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is [5-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
PubChem CID39199222
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name[5-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
SMILESCc1cccc2nc(-c3ccc([N+](=O)[O-])cc3)c(CN)n12
InChIInChI=1S/C15H14N4O2/c1-10-3-2-4-14-17-15(13(9-16)18(10)14)11-5-7-12(8-6-11)19(20)21/h2-8H,9,16H2,1H3
InChIKeyKDAQDTQBJHCBMA-UHFFFAOYSA-N
XLogP2.68
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.68
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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Related Compounds

[5-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 39199238
5-methyl-2-(4-nitrophenyl)-3-nitrosoimidazo[1,2-a]pyridine
CID 82356477
[5-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 82342842
3-[6-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine
CID 170878850
[8-chloro-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 82529315
2-[8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]ethanamine
CID 28866412
[5-chloro-2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 82342843
2-[5-methyl-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 39127587
5-methyl-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-amine
CID 63618459
3-(chloromethyl)-8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine
CID 82029739
1-methyl-2-(4-nitrophenyl)pyrazolo[5,1-a]isoquinoline
CID 134909172
6-iodo-3-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine
CID 67546543

Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine?
The IUPAC name of [5-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine (CID 39199222) is [5-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine.
What is the SMILES notation for [5-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine?
The canonical SMILES for [5-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine is Cc1cccc2nc(-c3ccc([N+](=O)[O-])cc3)c(CN)n12.
What is the InChIKey of [5-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine?
The InChIKey is KDAQDTQBJHCBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-10-3-2-4-14-17-15(13(9-16)18(10)14)11-5-7-12(8-6-11)19(20)21/h2-8H,9,16H2,1H3.
What are the key properties of [5-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine?
[5-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine has a molecular weight of 282.30 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine is sourced from PubChem (CID 39199222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).