N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[4-(methylcarbamoyl)phenyl]furan-2-carboxamide

C19H21N3O3 — CID 70026205

IUPACN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[4-(methylcarbamoyl)phenyl]furan-2-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)o2)cc1
InChIInChI=1S/C19H21N3O3/c1-20-18(23)12-4-2-11(3-5-12)16-8-9-17(25-16)19(24)22-15-10-13-6-7-14(15)21-13/h2-5,8-9,13-15,21H,6-7,10H2,1H3,(H,20,23)(H,22,24)/t13-,14+,15-/m1/s1
InChIKeyKDIRFGGCUXUURM-QLFBSQMISA-N
MW339.40 g/mol
LogP1.93
Rot. Bonds4

About N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[4-(methylcarbamoyl)phenyl]furan-2-carboxamide

N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[4-(methylcarbamoyl)phenyl]furan-2-carboxamide (PubChem CID 70026205) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[4-(methylcarbamoyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[4-(methylcarbamoyl)phenyl]furan-2-carboxamide
PubChem CID70026205
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[4-(methylcarbamoyl)phenyl]furan-2-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)o2)cc1
InChIInChI=1S/C19H21N3O3/c1-20-18(23)12-4-2-11(3-5-12)16-8-9-17(25-16)19(24)22-15-10-13-6-7-14(15)21-13/h2-5,8-9,13-15,21H,6-7,10H2,1H3,(H,20,23)(H,22,24)/t13-,14+,15-/m1/s1
InChIKeyKDIRFGGCUXUURM-QLFBSQMISA-N
XLogP1.93
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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-(4-ethylphenyl)furan-2-carboxamide
CID 70028089
N-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-fluorophenyl)furan-2-carboxamide;iodomethane
CID 161354262
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[4-(methylsulfamoyl)phenyl]furan-2-carboxamide
CID 70028158
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[4-(ethylamino)phenyl]furan-2-carboxamide
CID 18535315
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-nitrophenyl)furan-2-carboxamide
CID 10131402
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-[3-(5-methylfuran-2-yl)phenyl]furan-2-carboxamide
CID 18535759
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-(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
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-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[3-(furan-2-yl)phenyl]furan-2-carboxamide
CID 70025706

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[4-(methylcarbamoyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[4-(methylcarbamoyl)phenyl]furan-2-carboxamide (CID 70026205) is N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[4-(methylcarbamoyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[4-(methylcarbamoyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[4-(methylcarbamoyl)phenyl]furan-2-carboxamide is CNC(=O)c1ccc(-c2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)o2)cc1.
What is the InChIKey of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[4-(methylcarbamoyl)phenyl]furan-2-carboxamide?
The InChIKey is KDIRFGGCUXUURM-QLFBSQMISA-N. The full InChI is InChI=1S/C19H21N3O3/c1-20-18(23)12-4-2-11(3-5-12)16-8-9-17(25-16)19(24)22-15-10-13-6-7-14(15)21-13/h2-5,8-9,13-15,21H,6-7,10H2,1H3,(H,20,23)(H,22,24)/t13-,14+,15-/m1/s1.
What are the key properties of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[4-(methylcarbamoyl)phenyl]furan-2-carboxamide?
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[4-(methylcarbamoyl)phenyl]furan-2-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 1.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-[4-(methylcarbamoyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 70026205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).