5-(3-aminophenyl)-N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]furan-2-carboxamide

C17H19N3O2 — CID 20815050

IUPAC5-(3-aminophenyl)-N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]furan-2-carboxamide
SMILESNc1cccc(-c2ccc(C(=O)NC3CN4CC[C@H]3C4)o2)c1
InChIInChI=1S/C17H19N3O2/c18-13-3-1-2-11(8-13)15-4-5-16(22-15)17(21)19-14-10-20-7-6-12(14)9-20/h1-5,8,12,14H,6-7,9-10,18H2,(H,19,21)/t12-,14?/m0/s1
InChIKeyUIEQQNMMBBGYNL-NBFOIZRFSA-N
MW297.36 g/mol
LogP1.96
Rot. Bonds3

About 5-(3-aminophenyl)-N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]furan-2-carboxamide

5-(3-aminophenyl)-N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]furan-2-carboxamide (PubChem CID 20815050) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 5-(3-aminophenyl)-N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminophenyl)-N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]furan-2-carboxamide
PubChem CID20815050
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name5-(3-aminophenyl)-N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]furan-2-carboxamide
SMILESNc1cccc(-c2ccc(C(=O)NC3CN4CC[C@H]3C4)o2)c1
InChIInChI=1S/C17H19N3O2/c18-13-3-1-2-11(8-13)15-4-5-16(22-15)17(21)19-14-10-20-7-6-12(14)9-20/h1-5,8,12,14H,6-7,9-10,18H2,(H,19,21)/t12-,14?/m0/s1
InChIKeyUIEQQNMMBBGYNL-NBFOIZRFSA-N
XLogP1.96
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]-5-phenylfuran-2-carboxamide
CID 59113576
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(3-pyrrolidin-1-ylphenyl)furan-2-carboxamide
CID 18181247
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[3-(5-methylfuran-2-yl)phenyl]furan-2-carboxamide
CID 18180447
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[3-(methylcarbamoyl)phenyl]furan-2-carboxamide
CID 18182100
7-(3-aminophenyl)-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-2-carboxamide
CID 58675161
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[3-(benzenesulfonamido)phenyl]furan-2-carboxamide
CID 18181787
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide;but-2-enedioic acid
CID 70024793
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
5-(4-anilinophenyl)-N-(1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide
CID 18180723
4-(3-aminophenyl)sulfanyl-N-(1-azabicyclo[2.2.1]heptan-3-yl)benzamide
CID 22573799
5-amino-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-2-carboxamide
CID 10236388

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminophenyl)-N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]furan-2-carboxamide?
The IUPAC name of 5-(3-aminophenyl)-N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]furan-2-carboxamide (CID 20815050) is 5-(3-aminophenyl)-N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]furan-2-carboxamide.
What is the SMILES notation for 5-(3-aminophenyl)-N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]furan-2-carboxamide?
The canonical SMILES for 5-(3-aminophenyl)-N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]furan-2-carboxamide is Nc1cccc(-c2ccc(C(=O)NC3CN4CC[C@H]3C4)o2)c1.
What is the InChIKey of 5-(3-aminophenyl)-N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]furan-2-carboxamide?
The InChIKey is UIEQQNMMBBGYNL-NBFOIZRFSA-N. The full InChI is InChI=1S/C17H19N3O2/c18-13-3-1-2-11(8-13)15-4-5-16(22-15)17(21)19-14-10-20-7-6-12(14)9-20/h1-5,8,12,14H,6-7,9-10,18H2,(H,19,21)/t12-,14?/m0/s1.
What are the key properties of 5-(3-aminophenyl)-N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]furan-2-carboxamide?
5-(3-aminophenyl)-N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]furan-2-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminophenyl)-N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]furan-2-carboxamide is sourced from PubChem (CID 20815050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).