N-(6-methoxypyrimidin-4-yl)-5-nitrofuran-2-carboxamide

C10H8N4O5 — CID 3011954

IUPACN-(6-methoxypyrimidin-4-yl)-5-nitrofuran-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)ncn1
InChIInChI=1S/C10H8N4O5/c1-18-8-4-7(11-5-12-8)13-10(15)6-2-3-9(19-6)14(16)17/h2-5H,1H3,(H,11,12,13,15)
InChIKeyHVDDZHFXUSMDCU-UHFFFAOYSA-N
MW264.20 g/mol
LogP1.24
Rot. Bonds4

About N-(6-methoxypyrimidin-4-yl)-5-nitrofuran-2-carboxamide

N-(6-methoxypyrimidin-4-yl)-5-nitrofuran-2-carboxamide (PubChem CID 3011954) has the molecular formula C10H8N4O5 and a molecular weight of 264.20 g/mol. Its IUPAC name is N-(6-methoxypyrimidin-4-yl)-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-(6-methoxypyrimidin-4-yl)-5-nitrofuran-2-carboxamide
PubChem CID3011954
Molecular FormulaC10H8N4O5
Molecular Weight264.20 g/mol
Exact Mass264.05
IUPAC NameN-(6-methoxypyrimidin-4-yl)-5-nitrofuran-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)ncn1
InChIInChI=1S/C10H8N4O5/c1-18-8-4-7(11-5-12-8)13-10(15)6-2-3-9(19-6)14(16)17/h2-5H,1H3,(H,11,12,13,15)
InChIKeyHVDDZHFXUSMDCU-UHFFFAOYSA-N
XLogP1.24
TPSA120.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(6-methoxypyrimidin-4-yl)-5-nitrofuran-2-carboxamide?
The IUPAC name of N-(6-methoxypyrimidin-4-yl)-5-nitrofuran-2-carboxamide (CID 3011954) is N-(6-methoxypyrimidin-4-yl)-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-(6-methoxypyrimidin-4-yl)-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-(6-methoxypyrimidin-4-yl)-5-nitrofuran-2-carboxamide is COc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)ncn1.
What is the InChIKey of N-(6-methoxypyrimidin-4-yl)-5-nitrofuran-2-carboxamide?
The InChIKey is HVDDZHFXUSMDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O5/c1-18-8-4-7(11-5-12-8)13-10(15)6-2-3-9(19-6)14(16)17/h2-5H,1H3,(H,11,12,13,15).
What are the key properties of N-(6-methoxypyrimidin-4-yl)-5-nitrofuran-2-carboxamide?
N-(6-methoxypyrimidin-4-yl)-5-nitrofuran-2-carboxamide has a molecular weight of 264.20 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxypyrimidin-4-yl)-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 3011954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).