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

C11H14BrN3O2 — CID 803545

IUPAC5-bromo-N-[(1-methylpiperidin-4-ylidene)amino]furan-2-carboxamide
SMILESCN1CCC(=NNC(=O)c2ccc(Br)o2)CC1
InChIInChI=1S/C11H14BrN3O2/c1-15-6-4-8(5-7-15)13-14-11(16)9-2-3-10(12)17-9/h2-3H,4-7H2,1H3,(H,14,16)
InChIKeyKCJXZVVKOSZFQF-UHFFFAOYSA-N
MW300.16 g/mol
LogP1.85
Rot. Bonds2

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

5-bromo-N-[(1-methylpiperidin-4-ylidene)amino]furan-2-carboxamide (PubChem CID 803545) has the molecular formula C11H14BrN3O2 and a molecular weight of 300.16 g/mol. Its IUPAC name is 5-bromo-N-[(1-methylpiperidin-4-ylidene)amino]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(1-methylpiperidin-4-ylidene)amino]furan-2-carboxamide
PubChem CID803545
Molecular FormulaC11H14BrN3O2
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name5-bromo-N-[(1-methylpiperidin-4-ylidene)amino]furan-2-carboxamide
SMILESCN1CCC(=NNC(=O)c2ccc(Br)o2)CC1
InChIInChI=1S/C11H14BrN3O2/c1-15-6-4-8(5-7-15)13-14-11(16)9-2-3-10(12)17-9/h2-3H,4-7H2,1H3,(H,14,16)
InChIKeyKCJXZVVKOSZFQF-UHFFFAOYSA-N
XLogP1.85
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 51.85
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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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1-methylpiperidin-4-ylidene)amino]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(1-methylpiperidin-4-ylidene)amino]furan-2-carboxamide (CID 803545) is 5-bromo-N-[(1-methylpiperidin-4-ylidene)amino]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(1-methylpiperidin-4-ylidene)amino]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(1-methylpiperidin-4-ylidene)amino]furan-2-carboxamide is CN1CCC(=NNC(=O)c2ccc(Br)o2)CC1.
What is the InChIKey of 5-bromo-N-[(1-methylpiperidin-4-ylidene)amino]furan-2-carboxamide?
The InChIKey is KCJXZVVKOSZFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O2/c1-15-6-4-8(5-7-15)13-14-11(16)9-2-3-10(12)17-9/h2-3H,4-7H2,1H3,(H,14,16).
What are the key properties of 5-bromo-N-[(1-methylpiperidin-4-ylidene)amino]furan-2-carboxamide?
5-bromo-N-[(1-methylpiperidin-4-ylidene)amino]furan-2-carboxamide has a molecular weight of 300.16 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1-methylpiperidin-4-ylidene)amino]furan-2-carboxamide is sourced from PubChem (CID 803545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).