2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-1-pyrrolidin-1-ylethanone

C13H19N5O3 — CID 10019492

IUPAC2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-1-pyrrolidin-1-ylethanone
SMILESO=C(CNCCNc1ccc([N+](=O)[O-])cn1)N1CCCC1
InChIInChI=1S/C13H19N5O3/c19-13(17-7-1-2-8-17)10-14-5-6-15-12-4-3-11(9-16-12)18(20)21/h3-4,9,14H,1-2,5-8,10H2,(H,15,16)
InChIKeyZJKHLRKBIIPENJ-UHFFFAOYSA-N
MW293.33 g/mol
LogP0.61
Rot. Bonds7

About 2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-1-pyrrolidin-1-ylethanone

2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-1-pyrrolidin-1-ylethanone (PubChem CID 10019492) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-1-pyrrolidin-1-ylethanone
PubChem CID10019492
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Name2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-1-pyrrolidin-1-ylethanone
SMILESO=C(CNCCNc1ccc([N+](=O)[O-])cn1)N1CCCC1
InChIInChI=1S/C13H19N5O3/c19-13(17-7-1-2-8-17)10-14-5-6-15-12-4-3-11(9-16-12)18(20)21/h3-4,9,14H,1-2,5-8,10H2,(H,15,16)
InChIKeyZJKHLRKBIIPENJ-UHFFFAOYSA-N
XLogP0.61
TPSA100.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-1-pyrrolidin-1-ylethanone (CID 10019492) is 2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-1-pyrrolidin-1-ylethanone is O=C(CNCCNc1ccc([N+](=O)[O-])cn1)N1CCCC1.
What is the InChIKey of 2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-1-pyrrolidin-1-ylethanone?
The InChIKey is ZJKHLRKBIIPENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c19-13(17-7-1-2-8-17)10-14-5-6-15-12-4-3-11(9-16-12)18(20)21/h3-4,9,14H,1-2,5-8,10H2,(H,15,16).
What are the key properties of 2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-1-pyrrolidin-1-ylethanone?
2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-1-pyrrolidin-1-ylethanone has a molecular weight of 293.33 g/mol, XLogP of 0.61, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 10019492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).