N-(3,5-dimethoxyphenyl)-3-nitroimidazo[1,2-a]pyridin-2-amine

C15H14N4O4 — CID 18095071

IUPACN-(3,5-dimethoxyphenyl)-3-nitroimidazo[1,2-a]pyridin-2-amine
SMILESCOc1cc(Nc2nc3ccccn3c2[N+](=O)[O-])cc(OC)c1
InChIInChI=1S/C15H14N4O4/c1-22-11-7-10(8-12(9-11)23-2)16-14-15(19(20)21)18-6-4-3-5-13(18)17-14/h3-9,16H,1-2H3
InChIKeyLNWJEXCIWYWEEE-UHFFFAOYSA-N
MW314.30 g/mol
LogP3.00
Rot. Bonds5

About N-(3,5-dimethoxyphenyl)-3-nitroimidazo[1,2-a]pyridin-2-amine

N-(3,5-dimethoxyphenyl)-3-nitroimidazo[1,2-a]pyridin-2-amine (PubChem CID 18095071) has the molecular formula C15H14N4O4 and a molecular weight of 314.30 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-3-nitroimidazo[1,2-a]pyridin-2-amine.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-3-nitroimidazo[1,2-a]pyridin-2-amine
PubChem CID18095071
Molecular FormulaC15H14N4O4
Molecular Weight314.30 g/mol
Exact Mass314.10
IUPAC NameN-(3,5-dimethoxyphenyl)-3-nitroimidazo[1,2-a]pyridin-2-amine
SMILESCOc1cc(Nc2nc3ccccn3c2[N+](=O)[O-])cc(OC)c1
InChIInChI=1S/C15H14N4O4/c1-22-11-7-10(8-12(9-11)23-2)16-14-15(19(20)21)18-6-4-3-5-13(18)17-14/h3-9,16H,1-2H3
InChIKeyLNWJEXCIWYWEEE-UHFFFAOYSA-N
XLogP3.00
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(3,5-dimethoxyphenyl)-3-nitroimidazo[1,2-a]pyridin-2-amine?
The IUPAC name of N-(3,5-dimethoxyphenyl)-3-nitroimidazo[1,2-a]pyridin-2-amine (CID 18095071) is N-(3,5-dimethoxyphenyl)-3-nitroimidazo[1,2-a]pyridin-2-amine.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-3-nitroimidazo[1,2-a]pyridin-2-amine?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-3-nitroimidazo[1,2-a]pyridin-2-amine is COc1cc(Nc2nc3ccccn3c2[N+](=O)[O-])cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-3-nitroimidazo[1,2-a]pyridin-2-amine?
The InChIKey is LNWJEXCIWYWEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O4/c1-22-11-7-10(8-12(9-11)23-2)16-14-15(19(20)21)18-6-4-3-5-13(18)17-14/h3-9,16H,1-2H3.
What are the key properties of N-(3,5-dimethoxyphenyl)-3-nitroimidazo[1,2-a]pyridin-2-amine?
N-(3,5-dimethoxyphenyl)-3-nitroimidazo[1,2-a]pyridin-2-amine has a molecular weight of 314.30 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-3-nitroimidazo[1,2-a]pyridin-2-amine is sourced from PubChem (CID 18095071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).