5-nitro-N-pyrimidin-2-ylfuran-2-carboxamide

C9H6N4O4 — CID 771978

IUPAC5-nitro-N-pyrimidin-2-ylfuran-2-carboxamide
SMILESO=C(Nc1ncccn1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C9H6N4O4/c14-8(12-9-10-4-1-5-11-9)6-2-3-7(17-6)13(15)16/h1-5H,(H,10,11,12,14)
InChIKeyKCHGOPIQDAYFTC-UHFFFAOYSA-N
MW234.17 g/mol
LogP1.23
Rot. Bonds3

About 5-nitro-N-pyrimidin-2-ylfuran-2-carboxamide

5-nitro-N-pyrimidin-2-ylfuran-2-carboxamide (PubChem CID 771978) has the molecular formula C9H6N4O4 and a molecular weight of 234.17 g/mol. Its IUPAC name is 5-nitro-N-pyrimidin-2-ylfuran-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-pyrimidin-2-ylfuran-2-carboxamide
PubChem CID771978
Molecular FormulaC9H6N4O4
Molecular Weight234.17 g/mol
Exact Mass234.04
IUPAC Name5-nitro-N-pyrimidin-2-ylfuran-2-carboxamide
SMILESO=C(Nc1ncccn1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C9H6N4O4/c14-8(12-9-10-4-1-5-11-9)6-2-3-7(17-6)13(15)16/h1-5H,(H,10,11,12,14)
InChIKeyKCHGOPIQDAYFTC-UHFFFAOYSA-N
XLogP1.23
TPSA111.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.17
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 5-nitro-N-pyrimidin-2-ylfuran-2-carboxamide?
The IUPAC name of 5-nitro-N-pyrimidin-2-ylfuran-2-carboxamide (CID 771978) is 5-nitro-N-pyrimidin-2-ylfuran-2-carboxamide.
What is the SMILES notation for 5-nitro-N-pyrimidin-2-ylfuran-2-carboxamide?
The canonical SMILES for 5-nitro-N-pyrimidin-2-ylfuran-2-carboxamide is O=C(Nc1ncccn1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 5-nitro-N-pyrimidin-2-ylfuran-2-carboxamide?
The InChIKey is KCHGOPIQDAYFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4O4/c14-8(12-9-10-4-1-5-11-9)6-2-3-7(17-6)13(15)16/h1-5H,(H,10,11,12,14).
What are the key properties of 5-nitro-N-pyrimidin-2-ylfuran-2-carboxamide?
5-nitro-N-pyrimidin-2-ylfuran-2-carboxamide has a molecular weight of 234.17 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-pyrimidin-2-ylfuran-2-carboxamide is sourced from PubChem (CID 771978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).