5-(3-nitrophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide

C17H13N3O4 — CID 2222377

IUPAC5-(3-nitrophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1
InChIInChI=1S/C17H13N3O4/c21-17(19-11-12-3-2-8-18-10-12)16-7-6-15(24-16)13-4-1-5-14(9-13)20(22)23/h1-10H,11H2,(H,19,21)
InChIKeyFTGBWGNNXNMVFH-UHFFFAOYSA-N
MW323.31 g/mol
LogP3.18
Rot. Bonds5

About 5-(3-nitrophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide

5-(3-nitrophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide (PubChem CID 2222377) has the molecular formula C17H13N3O4 and a molecular weight of 323.31 g/mol. Its IUPAC name is 5-(3-nitrophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(3-nitrophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
PubChem CID2222377
Molecular FormulaC17H13N3O4
Molecular Weight323.31 g/mol
Exact Mass323.09
IUPAC Name5-(3-nitrophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1
InChIInChI=1S/C17H13N3O4/c21-17(19-11-12-3-2-8-18-10-12)16-7-6-15(24-16)13-4-1-5-14(9-13)20(22)23/h1-10H,11H2,(H,19,21)
InChIKeyFTGBWGNNXNMVFH-UHFFFAOYSA-N
XLogP3.18
TPSA98.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(3-nitrophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
The IUPAC name of 5-(3-nitrophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide (CID 2222377) is 5-(3-nitrophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-(3-nitrophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-(3-nitrophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide is O=C(NCc1cccnc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1.
What is the InChIKey of 5-(3-nitrophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
The InChIKey is FTGBWGNNXNMVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O4/c21-17(19-11-12-3-2-8-18-10-12)16-7-6-15(24-16)13-4-1-5-14(9-13)20(22)23/h1-10H,11H2,(H,19,21).
What are the key properties of 5-(3-nitrophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
5-(3-nitrophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide has a molecular weight of 323.31 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-nitrophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 2222377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).