N-[(Z)-[5-(2-bromophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide

C17H12BrN3O2 — CID 9059991

IUPACN-[(Z)-[5-(2-bromophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C\c1ccc(-c2ccccc2Br)o1)c1cccnc1
InChIInChI=1S/C17H12BrN3O2/c18-15-6-2-1-5-14(15)16-8-7-13(23-16)11-20-21-17(22)12-4-3-9-19-10-12/h1-11H,(H,21,22)/b20-11-
InChIKeyAXHAZSGFOWURKD-JAIQZWGSSA-N
MW370.21 g/mol
LogP3.87
Rot. Bonds4

About N-[(Z)-[5-(2-bromophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide

N-[(Z)-[5-(2-bromophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide (PubChem CID 9059991) has the molecular formula C17H12BrN3O2 and a molecular weight of 370.21 g/mol. Its IUPAC name is N-[(Z)-[5-(2-bromophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[5-(2-bromophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide
PubChem CID9059991
Molecular FormulaC17H12BrN3O2
Molecular Weight370.21 g/mol
Exact Mass369.01
IUPAC NameN-[(Z)-[5-(2-bromophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C\c1ccc(-c2ccccc2Br)o1)c1cccnc1
InChIInChI=1S/C17H12BrN3O2/c18-15-6-2-1-5-14(15)16-8-7-13(23-16)11-20-21-17(22)12-4-3-9-19-10-12/h1-11H,(H,21,22)/b20-11-
InChIKeyAXHAZSGFOWURKD-JAIQZWGSSA-N
XLogP3.87
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.21
LogP ≤ 53.87
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-[(Z)-[5-(4-cyanophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide
CID 126029202
N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide
CID 5414471
N-[(E)-[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide
CID 44615975
N-[(Z)-(4-bromo-5-phenylsulfanylfuran-2-yl)methylideneamino]pyridine-3-carboxamide
CID 126003143
2-[5-[(benzoylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 50883717
N-[(E)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-6-methylpyridine-3-carboxamide
CID 6863548
5-bromo-N-[(E)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide
CID 51042923
N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 135533190
N-[(Z)-[5-(2-bromophenyl)furan-2-yl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9029531
N-[(Z)-(5-bromofuran-2-yl)methylideneamino]benzamide
CID 5397633
N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 135591242
N-(pyridin-2-ylmethylideneamino)pyridine-3-carboxamide
CID 577497

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5-(2-bromophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(Z)-[5-(2-bromophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide (CID 9059991) is N-[(Z)-[5-(2-bromophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(Z)-[5-(2-bromophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(Z)-[5-(2-bromophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide is O=C(N/N=C\c1ccc(-c2ccccc2Br)o1)c1cccnc1.
What is the InChIKey of N-[(Z)-[5-(2-bromophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide?
The InChIKey is AXHAZSGFOWURKD-JAIQZWGSSA-N. The full InChI is InChI=1S/C17H12BrN3O2/c18-15-6-2-1-5-14(15)16-8-7-13(23-16)11-20-21-17(22)12-4-3-9-19-10-12/h1-11H,(H,21,22)/b20-11-.
What are the key properties of N-[(Z)-[5-(2-bromophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide?
N-[(Z)-[5-(2-bromophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide has a molecular weight of 370.21 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[5-(2-bromophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 9059991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).