N-[(4-ethoxyphenyl)methyl]-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine

C17H18N4O3 — CID 18095255

IUPACN-[(4-ethoxyphenyl)methyl]-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine
SMILESCCOc1ccc(CN(C)c2nc3ccccn3c2[N+](=O)[O-])cc1
InChIInChI=1S/C17H18N4O3/c1-3-24-14-9-7-13(8-10-14)12-19(2)16-17(21(22)23)20-11-5-4-6-15(20)18-16/h4-11H,3,12H2,1-2H3
InChIKeyIGZWNOUECDETNS-UHFFFAOYSA-N
MW326.36 g/mol
LogP3.28
Rot. Bonds6

About N-[(4-ethoxyphenyl)methyl]-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine

N-[(4-ethoxyphenyl)methyl]-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine (PubChem CID 18095255) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine
PubChem CID18095255
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC NameN-[(4-ethoxyphenyl)methyl]-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine
SMILESCCOc1ccc(CN(C)c2nc3ccccn3c2[N+](=O)[O-])cc1
InChIInChI=1S/C17H18N4O3/c1-3-24-14-9-7-13(8-10-14)12-19(2)16-17(21(22)23)20-11-5-4-6-15(20)18-16/h4-11H,3,12H2,1-2H3
InChIKeyIGZWNOUECDETNS-UHFFFAOYSA-N
XLogP3.28
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 53.28
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine (CID 18095255) is N-[(4-ethoxyphenyl)methyl]-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine is CCOc1ccc(CN(C)c2nc3ccccn3c2[N+](=O)[O-])cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine?
The InChIKey is IGZWNOUECDETNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-3-24-14-9-7-13(8-10-14)12-19(2)16-17(21(22)23)20-11-5-4-6-15(20)18-16/h4-11H,3,12H2,1-2H3.
What are the key properties of N-[(4-ethoxyphenyl)methyl]-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine?
N-[(4-ethoxyphenyl)methyl]-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine has a molecular weight of 326.36 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-N-methyl-3-nitroimidazo[1,2-a]pyridin-2-amine is sourced from PubChem (CID 18095255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).