N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2-fluoro-3-pyridinyl)furan-2-carboxamide

C16H16FN3O2 — CID 18534899

IUPACN-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2-fluoro-3-pyridinyl)furan-2-carboxamide
SMILESO=C(NC1CC2CCC1N2)c1ccc(-c2cccnc2F)o1
InChIInChI=1S/C16H16FN3O2/c17-15-10(2-1-7-18-15)13-5-6-14(22-13)16(21)20-12-8-9-3-4-11(12)19-9/h1-2,5-7,9,11-12,19H,3-4,8H2,(H,20,21)
InChIKeyNDDOFQJLHHDQDA-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.10
Rot. Bonds3

About N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2-fluoro-3-pyridinyl)furan-2-carboxamide

N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2-fluoro-3-pyridinyl)furan-2-carboxamide (PubChem CID 18534899) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2-fluoro-3-pyridinyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2-fluoro-3-pyridinyl)furan-2-carboxamide
PubChem CID18534899
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC NameN-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2-fluoro-3-pyridinyl)furan-2-carboxamide
SMILESO=C(NC1CC2CCC1N2)c1ccc(-c2cccnc2F)o1
InChIInChI=1S/C16H16FN3O2/c17-15-10(2-1-7-18-15)13-5-6-14(22-13)16(21)20-12-8-9-3-4-11(12)19-9/h1-2,5-7,9,11-12,19H,3-4,8H2,(H,20,21)
InChIKeyNDDOFQJLHHDQDA-UHFFFAOYSA-N
XLogP2.10
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2-fluoro-3-pyridinyl)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-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-pyridin-3-ylfuran-2-carboxamide
CID 70027681
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[2-(5-methylfuran-2-yl)phenyl]furan-2-carboxamide
CID 70026440
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2-methoxyphenyl)furan-2-carboxamide
CID 18535430
N-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-fluorophenyl)furan-2-carboxamide;iodomethane
CID 161354262
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(2-fluoro-3-pyridinyl)furan-2-carboxamide
CID 21350196
N-[(1S,2R,4S)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-methylphenyl)furan-2-carboxamide
CID 15978646
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 70027888
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[3-(1,3-oxazol-2-yl)phenyl]furan-2-carboxamide
CID 18535376
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-ethylphenyl)furan-2-carboxamide
CID 70028089
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[3-(1,3-thiazol-2-yl)phenyl]furan-2-carboxamide
CID 18535005
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 70026122
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(5-chloro-3-pyridinyl)furan-2-carboxamide
CID 18535263

Frequently Asked Questions

What is the IUPAC name of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2-fluoro-3-pyridinyl)furan-2-carboxamide?
The IUPAC name of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2-fluoro-3-pyridinyl)furan-2-carboxamide (CID 18534899) is N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2-fluoro-3-pyridinyl)furan-2-carboxamide.
What is the SMILES notation for N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2-fluoro-3-pyridinyl)furan-2-carboxamide?
The canonical SMILES for N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2-fluoro-3-pyridinyl)furan-2-carboxamide is O=C(NC1CC2CCC1N2)c1ccc(-c2cccnc2F)o1.
What is the InChIKey of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2-fluoro-3-pyridinyl)furan-2-carboxamide?
The InChIKey is NDDOFQJLHHDQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c17-15-10(2-1-7-18-15)13-5-6-14(22-13)16(21)20-12-8-9-3-4-11(12)19-9/h1-2,5-7,9,11-12,19H,3-4,8H2,(H,20,21).
What are the key properties of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2-fluoro-3-pyridinyl)furan-2-carboxamide?
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2-fluoro-3-pyridinyl)furan-2-carboxamide has a molecular weight of 301.32 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2-fluoro-3-pyridinyl)furan-2-carboxamide is sourced from PubChem (CID 18534899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).