N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide

C22H14FN3O4 — CID 44522194

IUPACN-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide
SMILESO=C(Nc1cccc(-c2cccc(-c3ccc(F)cc3)n2)c1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C22H14FN3O4/c23-16-9-7-14(8-10-16)18-5-2-6-19(25-18)15-3-1-4-17(13-15)24-22(27)20-11-12-21(30-20)26(28)29/h1-13H,(H,24,27)
InChIKeyYZCKGDWVBSRKPJ-UHFFFAOYSA-N
MW403.37 g/mol
LogP5.31
Rot. Bonds5

About N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide

N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide (PubChem CID 44522194) has the molecular formula C22H14FN3O4 and a molecular weight of 403.37 g/mol. Its IUPAC name is N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide
PubChem CID44522194
Molecular FormulaC22H14FN3O4
Molecular Weight403.37 g/mol
Exact Mass403.10
IUPAC NameN-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide
SMILESO=C(Nc1cccc(-c2cccc(-c3ccc(F)cc3)n2)c1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C22H14FN3O4/c23-16-9-7-14(8-10-16)18-5-2-6-19(25-18)15-3-1-4-17(13-15)24-22(27)20-11-12-21(30-20)26(28)29/h1-13H,(H,24,27)
InChIKeyYZCKGDWVBSRKPJ-UHFFFAOYSA-N
XLogP5.31
TPSA98.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.37
LogP ≤ 55.31
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'}

Analyze N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-nitro-N-(quinolin-5-yl)furan-2-carboxamide
CID 952514
5-nitro-N-[4-(pyridin-4-ylmethyl)phenyl]furan-2-carboxamide
CID 774024
N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-5-nitrofuran-2-carboxamide
CID 1270329
N-[3-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide
CID 44522186
N-[3-[6-(2-methoxyphenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide
CID 44522187
[4-[1-[(3-Fluorophenyl)methyl]indol-3-yl]piperidin-1-yl]-(5-nitrofuran-2-yl)methanone
CID 44522191
N-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide
CID 44522193
5-(3-nitrophenyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 2222377
5-nitro-N-(quinolin-8-yl)furan-2-carboxamide
CID 935321
N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 4992311
N-(2-methylquinolin-8-yl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 15987569
N-[2-({5-nitro-2-furoyl}amino)ethyl]-2-quinolinecarboxamide
CID 17600320

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide (CID 44522194) is N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide is O=C(Nc1cccc(-c2cccc(-c3ccc(F)cc3)n2)c1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide?
The InChIKey is YZCKGDWVBSRKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14FN3O4/c23-16-9-7-14(8-10-16)18-5-2-6-19(25-18)15-3-1-4-17(13-15)24-22(27)20-11-12-21(30-20)26(28)29/h1-13H,(H,24,27).
What are the key properties of N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide?
N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide has a molecular weight of 403.37 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(4-fluorophenyl)-2-pyridinyl]phenyl]-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 44522194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).