5-bromo-N-[1-(furan-2-yl)ethylideneamino]pyridine-3-carboxamide

C12H10BrN3O2 — CID 4648878

IUPAC5-bromo-N-[1-(furan-2-yl)ethylideneamino]pyridine-3-carboxamide
SMILESCC(=NNC(=O)c1cncc(Br)c1)c1ccco1
InChIInChI=1S/C12H10BrN3O2/c1-8(11-3-2-4-18-11)15-16-12(17)9-5-10(13)7-14-6-9/h2-7H,1H3,(H,16,17)
InChIKeyYPSXETYKASIJRE-UHFFFAOYSA-N
MW308.13 g/mol
LogP2.59
Rot. Bonds3

About 5-bromo-N-[1-(furan-2-yl)ethylideneamino]pyridine-3-carboxamide

5-bromo-N-[1-(furan-2-yl)ethylideneamino]pyridine-3-carboxamide (PubChem CID 4648878) has the molecular formula C12H10BrN3O2 and a molecular weight of 308.13 g/mol. Its IUPAC name is 5-bromo-N-[1-(furan-2-yl)ethylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-(furan-2-yl)ethylideneamino]pyridine-3-carboxamide
PubChem CID4648878
Molecular FormulaC12H10BrN3O2
Molecular Weight308.13 g/mol
Exact Mass307.00
IUPAC Name5-bromo-N-[1-(furan-2-yl)ethylideneamino]pyridine-3-carboxamide
SMILESCC(=NNC(=O)c1cncc(Br)c1)c1ccco1
InChIInChI=1S/C12H10BrN3O2/c1-8(11-3-2-4-18-11)15-16-12(17)9-5-10(13)7-14-6-9/h2-7H,1H3,(H,16,17)
InChIKeyYPSXETYKASIJRE-UHFFFAOYSA-N
XLogP2.59
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.13
LogP ≤ 52.59
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

N-[(E)-1-(furan-2-yl)ethylideneamino]benzamide
CID 5396908
N-[(E)-1-(furan-2-yl)ethylideneamino]furan-2-carboxamide
CID 5339845
N-[1-(furan-2-yl)ethylideneamino]-3-methylbenzamide
CID 910469
5-bromo-N-(furan-2-ylmethylideneamino)pyridine-3-carboxamide
CID 3599810
N-[(E)-1-(4-bromophenyl)ethylideneamino]furan-2-carboxamide
CID 5340021
3-chloro-N-[(Z)-1-(furan-2-yl)ethylideneamino]benzamide
CID 5407477
3-amino-N-[(Z)-1-(furan-2-yl)ethylideneamino]benzamide
CID 5391882
[4-[(Z)-[(5-bromopyridine-3-carbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate
CID 5458091
[(Z)-1-(furan-2-yl)ethylideneamino]urea
CID 5354823
N-[(E)-1-(furan-2-yl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 5399764
3-(4-ethylphenyl)-N-[(Z)-1-(furan-2-yl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 6380303
5-bromo-N-[(2-nitroso-1-phenylethylidene)amino]pyridine-3-carboxamide
CID 90867123

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(furan-2-yl)ethylideneamino]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[1-(furan-2-yl)ethylideneamino]pyridine-3-carboxamide (CID 4648878) is 5-bromo-N-[1-(furan-2-yl)ethylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-(furan-2-yl)ethylideneamino]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[1-(furan-2-yl)ethylideneamino]pyridine-3-carboxamide is CC(=NNC(=O)c1cncc(Br)c1)c1ccco1.
What is the InChIKey of 5-bromo-N-[1-(furan-2-yl)ethylideneamino]pyridine-3-carboxamide?
The InChIKey is YPSXETYKASIJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O2/c1-8(11-3-2-4-18-11)15-16-12(17)9-5-10(13)7-14-6-9/h2-7H,1H3,(H,16,17).
What are the key properties of 5-bromo-N-[1-(furan-2-yl)ethylideneamino]pyridine-3-carboxamide?
5-bromo-N-[1-(furan-2-yl)ethylideneamino]pyridine-3-carboxamide has a molecular weight of 308.13 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(furan-2-yl)ethylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 4648878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).