N-(2-morpholin-4-ylethyl)-3-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyridin-2-amine

C20H27N7O3 — CID 142663875

IUPACN-(2-morpholin-4-ylethyl)-3-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyridin-2-amine
SMILESO=[N+]([O-])c1ccc(N2CCN(c3ccccn3)CC2)nc1NCCN1CCOCC1
InChIInChI=1S/C20H27N7O3/c28-27(29)17-4-5-19(23-20(17)22-7-8-24-13-15-30-16-14-24)26-11-9-25(10-12-26)18-3-1-2-6-21-18/h1-6H,7-16H2,(H,22,23)
InChIKeyHYXCXWJFXIOWNG-UHFFFAOYSA-N
MW413.48 g/mol
LogP1.46
Rot. Bonds7

About N-(2-morpholin-4-ylethyl)-3-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyridin-2-amine

N-(2-morpholin-4-ylethyl)-3-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyridin-2-amine (PubChem CID 142663875) has the molecular formula C20H27N7O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-3-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-3-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyridin-2-amine
PubChem CID142663875
Molecular FormulaC20H27N7O3
Molecular Weight413.48 g/mol
Exact Mass413.22
IUPAC NameN-(2-morpholin-4-ylethyl)-3-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyridin-2-amine
SMILESO=[N+]([O-])c1ccc(N2CCN(c3ccccn3)CC2)nc1NCCN1CCOCC1
InChIInChI=1S/C20H27N7O3/c28-27(29)17-4-5-19(23-20(17)22-7-8-24-13-15-30-16-14-24)26-11-9-25(10-12-26)18-3-1-2-6-21-18/h1-6H,7-16H2,(H,22,23)
InChIKeyHYXCXWJFXIOWNG-UHFFFAOYSA-N
XLogP1.46
TPSA99.90 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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-(2-morpholin-4-ylethyl)-3-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyridin-2-amine?
The IUPAC name of N-(2-morpholin-4-ylethyl)-3-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyridin-2-amine (CID 142663875) is N-(2-morpholin-4-ylethyl)-3-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyridin-2-amine.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-3-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyridin-2-amine?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-3-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyridin-2-amine is O=[N+]([O-])c1ccc(N2CCN(c3ccccn3)CC2)nc1NCCN1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-3-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyridin-2-amine?
The InChIKey is HYXCXWJFXIOWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O3/c28-27(29)17-4-5-19(23-20(17)22-7-8-24-13-15-30-16-14-24)26-11-9-25(10-12-26)18-3-1-2-6-21-18/h1-6H,7-16H2,(H,22,23).
What are the key properties of N-(2-morpholin-4-ylethyl)-3-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyridin-2-amine?
N-(2-morpholin-4-ylethyl)-3-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyridin-2-amine has a molecular weight of 413.48 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-3-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyridin-2-amine is sourced from PubChem (CID 142663875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).