N-[(E)-[5-(3-bromophenyl)furan-2-yl]methylideneamino]pyridin-4-amine

C16H12BrN3O — CID 21208907

IUPACN-[(E)-[5-(3-bromophenyl)furan-2-yl]methylideneamino]pyridin-4-amine
SMILESBrc1cccc(-c2ccc(/C=N/Nc3ccncc3)o2)c1
InChIInChI=1S/C16H12BrN3O/c17-13-3-1-2-12(10-13)16-5-4-15(21-16)11-19-20-14-6-8-18-9-7-14/h1-11H,(H,18,20)/b19-11+
InChIKeyWJQVZUJOPCKZDL-YBFXNURJSA-N
MW342.20 g/mol
LogP4.55
Rot. Bonds4

About N-[(E)-[5-(3-bromophenyl)furan-2-yl]methylideneamino]pyridin-4-amine

N-[(E)-[5-(3-bromophenyl)furan-2-yl]methylideneamino]pyridin-4-amine (PubChem CID 21208907) has the molecular formula C16H12BrN3O and a molecular weight of 342.20 g/mol. Its IUPAC name is N-[(E)-[5-(3-bromophenyl)furan-2-yl]methylideneamino]pyridin-4-amine.

Molecular Properties

Compound NameN-[(E)-[5-(3-bromophenyl)furan-2-yl]methylideneamino]pyridin-4-amine
PubChem CID21208907
Molecular FormulaC16H12BrN3O
Molecular Weight342.20 g/mol
Exact Mass341.02
IUPAC NameN-[(E)-[5-(3-bromophenyl)furan-2-yl]methylideneamino]pyridin-4-amine
SMILESBrc1cccc(-c2ccc(/C=N/Nc3ccncc3)o2)c1
InChIInChI=1S/C16H12BrN3O/c17-13-3-1-2-12(10-13)16-5-4-15(21-16)11-19-20-14-6-8-18-9-7-14/h1-11H,(H,18,20)/b19-11+
InChIKeyWJQVZUJOPCKZDL-YBFXNURJSA-N
XLogP4.55
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 54.55
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)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]pyridin-4-amine
CID 21208899
N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]pyridin-4-amine
CID 21208900
methyl N-[(E)-[5-(3-bromophenyl)furan-2-yl]methylideneamino]carbamate
CID 6883365
3-[5-[(Z)-(phenylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 94829794
N-[(E)-[5-(3,4-dimethyl-5-nitrophenyl)furan-2-yl]methylideneamino]pyridin-4-amine
CID 21208953
N-[(E)-[5-(3-bromophenyl)furan-2-yl]methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 6885502
4-[2-[[5-(3-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]benzenesulfonamide
CID 3765394
4-bromo-N-[[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]aniline
CID 50886171
N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]pyridin-3-amine
CID 50889286
N-[(E)-[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylideneamino]pyridin-4-amine
CID 21229319
N-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]quinolin-8-amine
CID 3097114
2,4,6-trichloro-N-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]aniline
CID 50887505

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-(3-bromophenyl)furan-2-yl]methylideneamino]pyridin-4-amine?
The IUPAC name of N-[(E)-[5-(3-bromophenyl)furan-2-yl]methylideneamino]pyridin-4-amine (CID 21208907) is N-[(E)-[5-(3-bromophenyl)furan-2-yl]methylideneamino]pyridin-4-amine.
What is the SMILES notation for N-[(E)-[5-(3-bromophenyl)furan-2-yl]methylideneamino]pyridin-4-amine?
The canonical SMILES for N-[(E)-[5-(3-bromophenyl)furan-2-yl]methylideneamino]pyridin-4-amine is Brc1cccc(-c2ccc(/C=N/Nc3ccncc3)o2)c1.
What is the InChIKey of N-[(E)-[5-(3-bromophenyl)furan-2-yl]methylideneamino]pyridin-4-amine?
The InChIKey is WJQVZUJOPCKZDL-YBFXNURJSA-N. The full InChI is InChI=1S/C16H12BrN3O/c17-13-3-1-2-12(10-13)16-5-4-15(21-16)11-19-20-14-6-8-18-9-7-14/h1-11H,(H,18,20)/b19-11+.
What are the key properties of N-[(E)-[5-(3-bromophenyl)furan-2-yl]methylideneamino]pyridin-4-amine?
N-[(E)-[5-(3-bromophenyl)furan-2-yl]methylideneamino]pyridin-4-amine has a molecular weight of 342.20 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-(3-bromophenyl)furan-2-yl]methylideneamino]pyridin-4-amine is sourced from PubChem (CID 21208907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).