N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-nitroimidazo[1,2-a]pyridin-2-amine

C20H23N5O3 — CID 24508583

IUPACN-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-nitroimidazo[1,2-a]pyridin-2-amine
SMILESCc1ccc(C(CN2CCOCC2)Nc2nc3ccccn3c2[N+](=O)[O-])cc1
InChIInChI=1S/C20H23N5O3/c1-15-5-7-16(8-6-15)17(14-23-10-12-28-13-11-23)21-19-20(25(26)27)24-9-3-2-4-18(24)22-19/h2-9,17,21H,10-14H2,1H3
InChIKeyJQIAIUWWZIMJFP-UHFFFAOYSA-N
MW381.44 g/mol
LogP3.04
Rot. Bonds6

About N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-nitroimidazo[1,2-a]pyridin-2-amine

N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-nitroimidazo[1,2-a]pyridin-2-amine (PubChem CID 24508583) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-nitroimidazo[1,2-a]pyridin-2-amine.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-nitroimidazo[1,2-a]pyridin-2-amine
PubChem CID24508583
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC NameN-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-nitroimidazo[1,2-a]pyridin-2-amine
SMILESCc1ccc(C(CN2CCOCC2)Nc2nc3ccccn3c2[N+](=O)[O-])cc1
InChIInChI=1S/C20H23N5O3/c1-15-5-7-16(8-6-15)17(14-23-10-12-28-13-11-23)21-19-20(25(26)27)24-9-3-2-4-18(24)22-19/h2-9,17,21H,10-14H2,1H3
InChIKeyJQIAIUWWZIMJFP-UHFFFAOYSA-N
XLogP3.04
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.04
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-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-nitroimidazo[1,2-a]pyridin-2-amine?
The IUPAC name of N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-nitroimidazo[1,2-a]pyridin-2-amine (CID 24508583) is N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-nitroimidazo[1,2-a]pyridin-2-amine.
What is the SMILES notation for N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-nitroimidazo[1,2-a]pyridin-2-amine?
The canonical SMILES for N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-nitroimidazo[1,2-a]pyridin-2-amine is Cc1ccc(C(CN2CCOCC2)Nc2nc3ccccn3c2[N+](=O)[O-])cc1.
What is the InChIKey of N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-nitroimidazo[1,2-a]pyridin-2-amine?
The InChIKey is JQIAIUWWZIMJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-15-5-7-16(8-6-15)17(14-23-10-12-28-13-11-23)21-19-20(25(26)27)24-9-3-2-4-18(24)22-19/h2-9,17,21H,10-14H2,1H3.
What are the key properties of N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-nitroimidazo[1,2-a]pyridin-2-amine?
N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-nitroimidazo[1,2-a]pyridin-2-amine has a molecular weight of 381.44 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-nitroimidazo[1,2-a]pyridin-2-amine is sourced from PubChem (CID 24508583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).