N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide

C17H12N4O4 — CID 6866455

IUPACN-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cccnc1
InChIInChI=1S/C17H12N4O4/c22-17(12-4-3-9-18-10-12)20-19-11-13-7-8-16(25-13)14-5-1-2-6-15(14)21(23)24/h1-11H,(H,20,22)/b19-11+
InChIKeyDSNVGTOOEYTJFH-YBFXNURJSA-N
MW336.31 g/mol
LogP3.01
Rot. Bonds5

About N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide

N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide (PubChem CID 6866455) has the molecular formula C17H12N4O4 and a molecular weight of 336.31 g/mol. Its IUPAC name is N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide
PubChem CID6866455
Molecular FormulaC17H12N4O4
Molecular Weight336.31 g/mol
Exact Mass336.09
IUPAC NameN-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cccnc1
InChIInChI=1S/C17H12N4O4/c22-17(12-4-3-9-18-10-12)20-19-11-13-7-8-16(25-13)14-5-1-2-6-15(14)21(23)24/h1-11H,(H,20,22)/b19-11+
InChIKeyDSNVGTOOEYTJFH-YBFXNURJSA-N
XLogP3.01
TPSA110.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide (CID 6866455) is N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide is O=C(N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cccnc1.
What is the InChIKey of N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide?
The InChIKey is DSNVGTOOEYTJFH-YBFXNURJSA-N. The full InChI is InChI=1S/C17H12N4O4/c22-17(12-4-3-9-18-10-12)20-19-11-13-7-8-16(25-13)14-5-1-2-6-15(14)21(23)24/h1-11H,(H,20,22)/b19-11+.
What are the key properties of N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide?
N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide has a molecular weight of 336.31 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 6866455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).