5-bromo-N-[(1-propylpiperidin-4-ylidene)amino]furan-2-carboxamide

C13H18BrN3O2 — CID 2851629

IUPAC5-bromo-N-[(1-propylpiperidin-4-ylidene)amino]furan-2-carboxamide
SMILESCCCN1CCC(=NNC(=O)c2ccc(Br)o2)CC1
InChIInChI=1S/C13H18BrN3O2/c1-2-7-17-8-5-10(6-9-17)15-16-13(18)11-3-4-12(14)19-11/h3-4H,2,5-9H2,1H3,(H,16,18)
InChIKeyFZJBCLOBQNSWDI-UHFFFAOYSA-N
MW328.21 g/mol
LogP2.63
Rot. Bonds4

About 5-bromo-N-[(1-propylpiperidin-4-ylidene)amino]furan-2-carboxamide

5-bromo-N-[(1-propylpiperidin-4-ylidene)amino]furan-2-carboxamide (PubChem CID 2851629) has the molecular formula C13H18BrN3O2 and a molecular weight of 328.21 g/mol. Its IUPAC name is 5-bromo-N-[(1-propylpiperidin-4-ylidene)amino]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(1-propylpiperidin-4-ylidene)amino]furan-2-carboxamide
PubChem CID2851629
Molecular FormulaC13H18BrN3O2
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC Name5-bromo-N-[(1-propylpiperidin-4-ylidene)amino]furan-2-carboxamide
SMILESCCCN1CCC(=NNC(=O)c2ccc(Br)o2)CC1
InChIInChI=1S/C13H18BrN3O2/c1-2-7-17-8-5-10(6-9-17)15-16-13(18)11-3-4-12(14)19-11/h3-4H,2,5-9H2,1H3,(H,16,18)
InChIKeyFZJBCLOBQNSWDI-UHFFFAOYSA-N
XLogP2.63
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N'-(3-cyclohexen-1-ylmethylene)-2-furohydrazide
CID 6293290
5-bromo-N'-(1-isopropyl-4-piperidinylidene)-2-furohydrazide
CID 840404
N'-(1-ethyl-4-piperidinylidene)-2-furohydrazide
CID 840590
N'-(1-methyl-4-piperidinylidene)-2-furohydrazide
CID 868151
5-bromo-N'-[1-(5-methyl-2-furyl)ethylidene]-2-furohydrazide
CID 5416348
5-bromo-N'-(1,2-dimethylpropylidene)-2-furohydrazide
CID 5416360
5-bromo-N-[(4-tert-butylcyclohexylidene)amino]-2-furancarboxamide
CID 1219220
5-bromo-N'-cycloheptylidene-2-furohydrazide
CID 3283870
5-bromo-N'-(4-tert-pentylcyclohexylidene)-2-furohydrazide
CID 4244331
5-Bromo-N-morpholinofuran-2-carboxamide
CID 772338
5-bromo-N-[1-(5-methylfuran-2-yl)ethylideneamino]furan-2-carboxamide
CID 902920
5-bromo-N'-(1-methylpiperidin-4-ylidene)furan-2-carbohydrazide
CID 803545

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1-propylpiperidin-4-ylidene)amino]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(1-propylpiperidin-4-ylidene)amino]furan-2-carboxamide (CID 2851629) is 5-bromo-N-[(1-propylpiperidin-4-ylidene)amino]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(1-propylpiperidin-4-ylidene)amino]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(1-propylpiperidin-4-ylidene)amino]furan-2-carboxamide is CCCN1CCC(=NNC(=O)c2ccc(Br)o2)CC1.
What is the InChIKey of 5-bromo-N-[(1-propylpiperidin-4-ylidene)amino]furan-2-carboxamide?
The InChIKey is FZJBCLOBQNSWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O2/c1-2-7-17-8-5-10(6-9-17)15-16-13(18)11-3-4-12(14)19-11/h3-4H,2,5-9H2,1H3,(H,16,18).
What are the key properties of 5-bromo-N-[(1-propylpiperidin-4-ylidene)amino]furan-2-carboxamide?
5-bromo-N-[(1-propylpiperidin-4-ylidene)amino]furan-2-carboxamide has a molecular weight of 328.21 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1-propylpiperidin-4-ylidene)amino]furan-2-carboxamide is sourced from PubChem (CID 2851629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).