N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methyl-2-nitrophenyl)furan-2-carboxamide

C19H21N3O4 — CID 18180444

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methyl-2-nitrophenyl)furan-2-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)NC3CN4CCC3CC4)o2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H21N3O4/c1-12-2-3-14(16(10-12)22(24)25)17-4-5-18(26-17)19(23)20-15-11-21-8-6-13(15)7-9-21/h2-5,10,13,15H,6-9,11H2,1H3,(H,20,23)
InChIKeyNRBPNNZIZNNMEB-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.99
Rot. Bonds4

About N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methyl-2-nitrophenyl)furan-2-carboxamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methyl-2-nitrophenyl)furan-2-carboxamide (PubChem CID 18180444) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methyl-2-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methyl-2-nitrophenyl)furan-2-carboxamide
PubChem CID18180444
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methyl-2-nitrophenyl)furan-2-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)NC3CN4CCC3CC4)o2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H21N3O4/c1-12-2-3-14(16(10-12)22(24)25)17-4-5-18(26-17)19(23)20-15-11-21-8-6-13(15)7-9-21/h2-5,10,13,15H,6-9,11H2,1H3,(H,20,23)
InChIKeyNRBPNNZIZNNMEB-UHFFFAOYSA-N
XLogP2.99
TPSA88.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.99
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-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methyl-2-nitrophenyl)furan-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

N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 18181740
5-(4-methyl-2-nitrophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide
CID 4972219
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[3-(5-methylfuran-2-yl)phenyl]furan-2-carboxamide
CID 18180447
5-(4-chloro-2-nitrophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide
CID 18180346
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[2-(ethylamino)phenyl]furan-2-carboxamide
CID 18182046
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-chlorophenyl)furan-2-carboxamide
CID 4602961
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-4-ylfuran-2-carboxamide
CID 23599456
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[2-(methylsulfamoyl)phenyl]furan-2-carboxamide
CID 18181601
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(2-fluoro-3-pyridinyl)furan-2-carboxamide
CID 21350196
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[4-(methylsulfamoyl)phenyl]furan-2-carboxamide
CID 18181198
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 18180318
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(3-pyrrolidin-1-ylphenyl)furan-2-carboxamide
CID 18181247

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methyl-2-nitrophenyl)furan-2-carboxamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methyl-2-nitrophenyl)furan-2-carboxamide (CID 18180444) is N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methyl-2-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methyl-2-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methyl-2-nitrophenyl)furan-2-carboxamide is Cc1ccc(-c2ccc(C(=O)NC3CN4CCC3CC4)o2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methyl-2-nitrophenyl)furan-2-carboxamide?
The InChIKey is NRBPNNZIZNNMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-12-2-3-14(16(10-12)22(24)25)17-4-5-18(26-17)19(23)20-15-11-21-8-6-13(15)7-9-21/h2-5,10,13,15H,6-9,11H2,1H3,(H,20,23).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methyl-2-nitrophenyl)furan-2-carboxamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methyl-2-nitrophenyl)furan-2-carboxamide has a molecular weight of 355.39 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(4-methyl-2-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 18180444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).