4-amino-N-[2-[(5-nitro-2-pyridinyl)amino]ethyl]-1,2,5-oxadiazole-3-carboxamide

C10H11N7O4 — CID 2972787

IUPAC4-amino-N-[2-[(5-nitro-2-pyridinyl)amino]ethyl]-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)NCCNc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C10H11N7O4/c11-9-8(15-21-16-9)10(18)13-4-3-12-7-2-1-6(5-14-7)17(19)20/h1-2,5H,3-4H2,(H2,11,16)(H,12,14)(H,13,18)
InChIKeyQEFAXSKLDOMMGY-UHFFFAOYSA-N
MW293.24 g/mol
LogP-0.20
Rot. Bonds6

About 4-amino-N-[2-[(5-nitro-2-pyridinyl)amino]ethyl]-1,2,5-oxadiazole-3-carboxamide

4-amino-N-[2-[(5-nitro-2-pyridinyl)amino]ethyl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 2972787) has the molecular formula C10H11N7O4 and a molecular weight of 293.24 g/mol. Its IUPAC name is 4-amino-N-[2-[(5-nitro-2-pyridinyl)amino]ethyl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-[(5-nitro-2-pyridinyl)amino]ethyl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID2972787
Molecular FormulaC10H11N7O4
Molecular Weight293.24 g/mol
Exact Mass293.09
IUPAC Name4-amino-N-[2-[(5-nitro-2-pyridinyl)amino]ethyl]-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)NCCNc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C10H11N7O4/c11-9-8(15-21-16-9)10(18)13-4-3-12-7-2-1-6(5-14-7)17(19)20/h1-2,5H,3-4H2,(H2,11,16)(H,12,14)(H,13,18)
InChIKeyQEFAXSKLDOMMGY-UHFFFAOYSA-N
XLogP-0.20
TPSA162.10 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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 4-amino-N-[2-[(5-nitro-2-pyridinyl)amino]ethyl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-[2-[(5-nitro-2-pyridinyl)amino]ethyl]-1,2,5-oxadiazole-3-carboxamide (CID 2972787) is 4-amino-N-[2-[(5-nitro-2-pyridinyl)amino]ethyl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[2-[(5-nitro-2-pyridinyl)amino]ethyl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[2-[(5-nitro-2-pyridinyl)amino]ethyl]-1,2,5-oxadiazole-3-carboxamide is Nc1nonc1C(=O)NCCNc1ccc([N+](=O)[O-])cn1.
What is the InChIKey of 4-amino-N-[2-[(5-nitro-2-pyridinyl)amino]ethyl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is QEFAXSKLDOMMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N7O4/c11-9-8(15-21-16-9)10(18)13-4-3-12-7-2-1-6(5-14-7)17(19)20/h1-2,5H,3-4H2,(H2,11,16)(H,12,14)(H,13,18).
What are the key properties of 4-amino-N-[2-[(5-nitro-2-pyridinyl)amino]ethyl]-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-[2-[(5-nitro-2-pyridinyl)amino]ethyl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 293.24 g/mol, XLogP of -0.20, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-[(5-nitro-2-pyridinyl)amino]ethyl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 2972787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).