5-bromo-N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide

C11H8BrN3O2 — CID 2171671

IUPAC5-bromo-N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide
SMILESO=C(NN=Cc1ccncc1)c1ccc(Br)o1
InChIInChI=1S/C11H8BrN3O2/c12-10-2-1-9(17-10)11(16)15-14-7-8-3-5-13-6-4-8/h1-7H,(H,15,16)
InChIKeyQVLZKSPVGSLMMT-UHFFFAOYSA-N
MW294.11 g/mol
LogP2.20
Rot. Bonds3

About 5-bromo-N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide

5-bromo-N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide (PubChem CID 2171671) has the molecular formula C11H8BrN3O2 and a molecular weight of 294.11 g/mol. Its IUPAC name is 5-bromo-N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide
PubChem CID2171671
Molecular FormulaC11H8BrN3O2
Molecular Weight294.11 g/mol
Exact Mass292.98
IUPAC Name5-bromo-N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide
SMILESO=C(NN=Cc1ccncc1)c1ccc(Br)o1
InChIInChI=1S/C11H8BrN3O2/c12-10-2-1-9(17-10)11(16)15-14-7-8-3-5-13-6-4-8/h1-7H,(H,15,16)
InChIKeyQVLZKSPVGSLMMT-UHFFFAOYSA-N
XLogP2.20
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.11
LogP ≤ 52.20
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-methyl-N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide
CID 3699372
5-bromo-N-[(4-propan-2-yloxyphenyl)methylideneamino]furan-2-carboxamide
CID 27519009
N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide
CID 678532
5-bromo-N-[(4-ethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 932602
2-[4-[(Z)-[(5-bromofuran-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 6261259
5-bromo-N-[(Z)-thiophen-2-ylmethylideneamino]furan-2-carboxamide
CID 5421765
2-N,5-N-bis(pyridin-3-ylmethylideneamino)furan-2,5-dicarboxamide
CID 4674781
1-[(Z)-pyridin-4-ylmethylideneamino]-3-[(E)-pyridin-4-ylmethylideneamino]urea
CID 54600785
5-bromo-N-[(2-chlorophenyl)methylideneamino]furan-2-carboxamide
CID 932581
N-[(E)-(4-bromophenyl)methylideneamino]pyridine-4-carboxamide
CID 5332577
5-bromo-N-(2-methylpropylideneamino)furan-2-carboxamide
CID 4195211
N-[[4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide
CID 1101714

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide (CID 2171671) is 5-bromo-N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide is O=C(NN=Cc1ccncc1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide?
The InChIKey is QVLZKSPVGSLMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3O2/c12-10-2-1-9(17-10)11(16)15-14-7-8-3-5-13-6-4-8/h1-7H,(H,15,16).
What are the key properties of 5-bromo-N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide?
5-bromo-N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide has a molecular weight of 294.11 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide is sourced from PubChem (CID 2171671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).