2-[2-(2-methoxy-5-methylphenyl)-6-nitroimidazo[1,2-a]pyridin-3-yl]ethanamine

C17H18N4O3 — CID 28866512

IUPAC2-[2-(2-methoxy-5-methylphenyl)-6-nitroimidazo[1,2-a]pyridin-3-yl]ethanamine
SMILESCOc1ccc(C)cc1-c1nc2ccc([N+](=O)[O-])cn2c1CCN
InChIInChI=1S/C17H18N4O3/c1-11-3-5-15(24-2)13(9-11)17-14(7-8-18)20-10-12(21(22)23)4-6-16(20)19-17/h3-6,9-10H,7-8,18H2,1-2H3
InChIKeyQKBFWTZELSATRW-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.73
Rot. Bonds5

About 2-[2-(2-methoxy-5-methylphenyl)-6-nitroimidazo[1,2-a]pyridin-3-yl]ethanamine

2-[2-(2-methoxy-5-methylphenyl)-6-nitroimidazo[1,2-a]pyridin-3-yl]ethanamine (PubChem CID 28866512) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-[2-(2-methoxy-5-methylphenyl)-6-nitroimidazo[1,2-a]pyridin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(2-methoxy-5-methylphenyl)-6-nitroimidazo[1,2-a]pyridin-3-yl]ethanamine
PubChem CID28866512
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name2-[2-(2-methoxy-5-methylphenyl)-6-nitroimidazo[1,2-a]pyridin-3-yl]ethanamine
SMILESCOc1ccc(C)cc1-c1nc2ccc([N+](=O)[O-])cn2c1CCN
InChIInChI=1S/C17H18N4O3/c1-11-3-5-15(24-2)13(9-11)17-14(7-8-18)20-10-12(21(22)23)4-6-16(20)19-17/h3-6,9-10H,7-8,18H2,1-2H3
InChIKeyQKBFWTZELSATRW-UHFFFAOYSA-N
XLogP2.73
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.73
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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Related Compounds

3-[6-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine
CID 170878850
3-amino-2-(2-methoxy-5-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 82356044
2-[2-(2,5-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 39133975
2-[6-amino-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 93203589
2-[2-(2,5-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanethioamide
CID 39127888
2-[2-(3-methoxyphenyl)-6-nitroimidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 93203563
5-(2-aminoethyl)-4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-amine
CID 39363228
2-[6-nitro-3-(4-nitrophenyl)imidazo[1,2-a]pyridin-2-yl]ethanamine
CID 28912800
[2-(2-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol
CID 39125918
2-chloro-6-(2-methoxy-5-methylphenyl)-4-nitropyridine
CID 86633494
[6-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanol
CID 46220572
3-ethyl-2-methyl-7-nitropyrido[1,2-a]pyrimidin-4-one
CID 20568861

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxy-5-methylphenyl)-6-nitroimidazo[1,2-a]pyridin-3-yl]ethanamine?
The IUPAC name of 2-[2-(2-methoxy-5-methylphenyl)-6-nitroimidazo[1,2-a]pyridin-3-yl]ethanamine (CID 28866512) is 2-[2-(2-methoxy-5-methylphenyl)-6-nitroimidazo[1,2-a]pyridin-3-yl]ethanamine.
What is the SMILES notation for 2-[2-(2-methoxy-5-methylphenyl)-6-nitroimidazo[1,2-a]pyridin-3-yl]ethanamine?
The canonical SMILES for 2-[2-(2-methoxy-5-methylphenyl)-6-nitroimidazo[1,2-a]pyridin-3-yl]ethanamine is COc1ccc(C)cc1-c1nc2ccc([N+](=O)[O-])cn2c1CCN.
What is the InChIKey of 2-[2-(2-methoxy-5-methylphenyl)-6-nitroimidazo[1,2-a]pyridin-3-yl]ethanamine?
The InChIKey is QKBFWTZELSATRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-11-3-5-15(24-2)13(9-11)17-14(7-8-18)20-10-12(21(22)23)4-6-16(20)19-17/h3-6,9-10H,7-8,18H2,1-2H3.
What are the key properties of 2-[2-(2-methoxy-5-methylphenyl)-6-nitroimidazo[1,2-a]pyridin-3-yl]ethanamine?
2-[2-(2-methoxy-5-methylphenyl)-6-nitroimidazo[1,2-a]pyridin-3-yl]ethanamine has a molecular weight of 326.36 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxy-5-methylphenyl)-6-nitroimidazo[1,2-a]pyridin-3-yl]ethanamine is sourced from PubChem (CID 28866512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).