5-nitro-N-[4-(pyridin-4-ylmethyl)phenyl]furan-2-carboxamide

C17H13N3O4 — CID 774024

IUPAC5-nitro-N-[4-(pyridin-4-ylmethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C17H13N3O4/c21-17(15-5-6-16(24-15)20(22)23)19-14-3-1-12(2-4-14)11-13-7-9-18-10-8-13/h1-10H,11H2,(H,19,21)
InChIKeyJZYMFMJJBMGPQE-UHFFFAOYSA-N
MW323.31 g/mol
LogP3.43
Rot. Bonds5

About 5-nitro-N-[4-(pyridin-4-ylmethyl)phenyl]furan-2-carboxamide

5-nitro-N-[4-(pyridin-4-ylmethyl)phenyl]furan-2-carboxamide (PubChem CID 774024) has the molecular formula C17H13N3O4 and a molecular weight of 323.31 g/mol. Its IUPAC name is 5-nitro-N-[4-(pyridin-4-ylmethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-[4-(pyridin-4-ylmethyl)phenyl]furan-2-carboxamide
PubChem CID774024
Molecular FormulaC17H13N3O4
Molecular Weight323.31 g/mol
Exact Mass323.09
IUPAC Name5-nitro-N-[4-(pyridin-4-ylmethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C17H13N3O4/c21-17(15-5-6-16(24-15)20(22)23)19-14-3-1-12(2-4-14)11-13-7-9-18-10-8-13/h1-10H,11H2,(H,19,21)
InChIKeyJZYMFMJJBMGPQE-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
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-nitro-N-[4-(pyridin-4-ylmethyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-nitro-N-[4-(pyridin-4-ylmethyl)phenyl]furan-2-carboxamide (CID 774024) is 5-nitro-N-[4-(pyridin-4-ylmethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-nitro-N-[4-(pyridin-4-ylmethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-nitro-N-[4-(pyridin-4-ylmethyl)phenyl]furan-2-carboxamide is O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 5-nitro-N-[4-(pyridin-4-ylmethyl)phenyl]furan-2-carboxamide?
The InChIKey is JZYMFMJJBMGPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O4/c21-17(15-5-6-16(24-15)20(22)23)19-14-3-1-12(2-4-14)11-13-7-9-18-10-8-13/h1-10H,11H2,(H,19,21).
What are the key properties of 5-nitro-N-[4-(pyridin-4-ylmethyl)phenyl]furan-2-carboxamide?
5-nitro-N-[4-(pyridin-4-ylmethyl)phenyl]furan-2-carboxamide has a molecular weight of 323.31 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[4-(pyridin-4-ylmethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 774024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).