1-(4-methoxyphenyl)-3-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]pyrrolidine-2,5-dione

C18H19N5O5 — CID 2885008

IUPAC1-(4-methoxyphenyl)-3-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]pyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)CC(NCCNc3ccc([N+](=O)[O-])cn3)C2=O)cc1
InChIInChI=1S/C18H19N5O5/c1-28-14-5-2-12(3-6-14)22-17(24)10-15(18(22)25)19-8-9-20-16-7-4-13(11-21-16)23(26)27/h2-7,11,15,19H,8-10H2,1H3,(H,20,21)
InChIKeyKWZWAXKMKFYXPO-UHFFFAOYSA-N
MW385.38 g/mol
LogP1.33
Rot. Bonds8

About 1-(4-methoxyphenyl)-3-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]pyrrolidine-2,5-dione

1-(4-methoxyphenyl)-3-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]pyrrolidine-2,5-dione (PubChem CID 2885008) has the molecular formula C18H19N5O5 and a molecular weight of 385.38 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]pyrrolidine-2,5-dione
PubChem CID2885008
Molecular FormulaC18H19N5O5
Molecular Weight385.38 g/mol
Exact Mass385.14
IUPAC Name1-(4-methoxyphenyl)-3-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]pyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)CC(NCCNc3ccc([N+](=O)[O-])cn3)C2=O)cc1
InChIInChI=1S/C18H19N5O5/c1-28-14-5-2-12(3-6-14)22-17(24)10-15(18(22)25)19-8-9-20-16-7-4-13(11-21-16)23(26)27/h2-7,11,15,19H,8-10H2,1H3,(H,20,21)
InChIKeyKWZWAXKMKFYXPO-UHFFFAOYSA-N
XLogP1.33
TPSA126.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-methoxyphenyl)-3-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]pyrrolidine-2,5-dione (CID 2885008) is 1-(4-methoxyphenyl)-3-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]pyrrolidine-2,5-dione is COc1ccc(N2C(=O)CC(NCCNc3ccc([N+](=O)[O-])cn3)C2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]pyrrolidine-2,5-dione?
The InChIKey is KWZWAXKMKFYXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O5/c1-28-14-5-2-12(3-6-14)22-17(24)10-15(18(22)25)19-8-9-20-16-7-4-13(11-21-16)23(26)27/h2-7,11,15,19H,8-10H2,1H3,(H,20,21).
What are the key properties of 1-(4-methoxyphenyl)-3-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]pyrrolidine-2,5-dione?
1-(4-methoxyphenyl)-3-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]pyrrolidine-2,5-dione has a molecular weight of 385.38 g/mol, XLogP of 1.33, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 2885008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).