N-[3-[(3-aminocyclopentanecarbonyl)amino]phenyl]furan-3-carboxamide

C17H19N3O3 — CID 119761839

IUPACN-[3-[(3-aminocyclopentanecarbonyl)amino]phenyl]furan-3-carboxamide
SMILESNC1CCC(C(=O)Nc2cccc(NC(=O)c3ccoc3)c2)C1
InChIInChI=1S/C17H19N3O3/c18-13-5-4-11(8-13)16(21)19-14-2-1-3-15(9-14)20-17(22)12-6-7-23-10-12/h1-3,6-7,9-11,13H,4-5,8,18H2,(H,19,21)(H,20,22)
InChIKeyUHTYTKMHWMHQGJ-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.60
Rot. Bonds4

About N-[3-[(3-aminocyclopentanecarbonyl)amino]phenyl]furan-3-carboxamide

N-[3-[(3-aminocyclopentanecarbonyl)amino]phenyl]furan-3-carboxamide (PubChem CID 119761839) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[3-[(3-aminocyclopentanecarbonyl)amino]phenyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-aminocyclopentanecarbonyl)amino]phenyl]furan-3-carboxamide
PubChem CID119761839
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-[3-[(3-aminocyclopentanecarbonyl)amino]phenyl]furan-3-carboxamide
SMILESNC1CCC(C(=O)Nc2cccc(NC(=O)c3ccoc3)c2)C1
InChIInChI=1S/C17H19N3O3/c18-13-5-4-11(8-13)16(21)19-14-2-1-3-15(9-14)20-17(22)12-6-7-23-10-12/h1-3,6-7,9-11,13H,4-5,8,18H2,(H,19,21)(H,20,22)
InChIKeyUHTYTKMHWMHQGJ-UHFFFAOYSA-N
XLogP2.60
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-(furan-3-carbonylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673294
3-[(3-aminocyclopentanecarbonyl)amino]-N-(3-fluorophenyl)benzamide
CID 119740416
N-[3-[(3-aminocyclohexanecarbonyl)amino]phenyl]benzamide;hydrochloride
CID 119709587
3-amino-N-(3-pyrrol-1-ylphenyl)cyclopentane-1-carboxamide
CID 66010193
N-(3-aminophenyl)furan-3-carboxamide
CID 16774426
cis-(1S,3R)-3-amino-N-(3-phenylphenyl)cyclopentane-1-carboxamide
CID 56906171
4-[[3-(furan-3-carbonylamino)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122078447
cis-(1R,3S)-3-[[3-(furan-3-carbonylamino)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065453
3-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]cyclopentane-1-carboxamide
CID 106911930
sodium cis-(1R,3S)-3-[[3-(furan-3-carbonylamino)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylate
CID 166237694
3-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]cyclopentane-1-carboxamide
CID 119863659
N-[3-[(3-aminocyclopentyl)amino]phenyl]cyclopropanecarboxamide
CID 79462712

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-aminocyclopentanecarbonyl)amino]phenyl]furan-3-carboxamide?
The IUPAC name of N-[3-[(3-aminocyclopentanecarbonyl)amino]phenyl]furan-3-carboxamide (CID 119761839) is N-[3-[(3-aminocyclopentanecarbonyl)amino]phenyl]furan-3-carboxamide.
What is the SMILES notation for N-[3-[(3-aminocyclopentanecarbonyl)amino]phenyl]furan-3-carboxamide?
The canonical SMILES for N-[3-[(3-aminocyclopentanecarbonyl)amino]phenyl]furan-3-carboxamide is NC1CCC(C(=O)Nc2cccc(NC(=O)c3ccoc3)c2)C1.
What is the InChIKey of N-[3-[(3-aminocyclopentanecarbonyl)amino]phenyl]furan-3-carboxamide?
The InChIKey is UHTYTKMHWMHQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c18-13-5-4-11(8-13)16(21)19-14-2-1-3-15(9-14)20-17(22)12-6-7-23-10-12/h1-3,6-7,9-11,13H,4-5,8,18H2,(H,19,21)(H,20,22).
What are the key properties of N-[3-[(3-aminocyclopentanecarbonyl)amino]phenyl]furan-3-carboxamide?
N-[3-[(3-aminocyclopentanecarbonyl)amino]phenyl]furan-3-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 2.60, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-aminocyclopentanecarbonyl)amino]phenyl]furan-3-carboxamide is sourced from PubChem (CID 119761839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).