5-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]furan-2-carboxamide

C14H19N3O3 — CID 119818574

IUPAC5-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]furan-2-carboxamide
SMILESNC(=O)c1ccc(CNC(=O)C2C3CCC(C3)C2N)o1
InChIInChI=1S/C14H19N3O3/c15-12-8-2-1-7(5-8)11(12)14(19)17-6-9-3-4-10(20-9)13(16)18/h3-4,7-8,11-12H,1-2,5-6,15H2,(H2,16,18)(H,17,19)
InChIKeyJWTGXDFZYUSBOW-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.37
Rot. Bonds4

About 5-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]furan-2-carboxamide

5-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]furan-2-carboxamide (PubChem CID 119818574) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 5-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]furan-2-carboxamide
PubChem CID119818574
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name5-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]furan-2-carboxamide
SMILESNC(=O)c1ccc(CNC(=O)C2C3CCC(C3)C2N)o1
InChIInChI=1S/C14H19N3O3/c15-12-8-2-1-7(5-8)11(12)14(19)17-6-9-3-4-10(20-9)13(16)18/h3-4,7-8,11-12H,1-2,5-6,15H2,(H2,16,18)(H,17,19)
InChIKeyJWTGXDFZYUSBOW-UHFFFAOYSA-N
XLogP0.37
TPSA111.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(4-ethylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 103808876
3-amino-N-[(4-fluorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119675800
3-amino-N-[(3-carbamoylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119719919
3-amino-N-[(4-methylsulfanylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119747894
3-amino-N-[[4-(1-hydroxyethyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119737448
3-amino-N-[(4-propan-2-ylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119716369
3-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119698056
3-amino-N-[(5-ethylthiophen-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119727864
N-[(5-carbamoylfuran-2-yl)methyl]piperidine-2-carboxamide
CID 119343567
3-amino-N-[(5-chlorothiophen-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119730051
3-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119694814
3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119689643

Frequently Asked Questions

What is the IUPAC name of 5-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]furan-2-carboxamide?
The IUPAC name of 5-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]furan-2-carboxamide (CID 119818574) is 5-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]furan-2-carboxamide?
The canonical SMILES for 5-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]furan-2-carboxamide is NC(=O)c1ccc(CNC(=O)C2C3CCC(C3)C2N)o1.
What is the InChIKey of 5-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]furan-2-carboxamide?
The InChIKey is JWTGXDFZYUSBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c15-12-8-2-1-7(5-8)11(12)14(19)17-6-9-3-4-10(20-9)13(16)18/h3-4,7-8,11-12H,1-2,5-6,15H2,(H2,16,18)(H,17,19).
What are the key properties of 5-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]furan-2-carboxamide?
5-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]furan-2-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]furan-2-carboxamide is sourced from PubChem (CID 119818574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).