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

C16H12N4O3 — CID 21208899

IUPACN-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]pyridin-4-amine
SMILESO=[N+]([O-])c1cccc(-c2ccc(/C=N/Nc3ccncc3)o2)c1
InChIInChI=1S/C16H12N4O3/c21-20(22)14-3-1-2-12(10-14)16-5-4-15(23-16)11-18-19-13-6-8-17-9-7-13/h1-11H,(H,17,19)/b18-11+
InChIKeyPLFNGBJSEPPXRI-WOJGMQOQSA-N
MW308.30 g/mol
LogP3.70
Rot. Bonds5

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

N-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]pyridin-4-amine (PubChem CID 21208899) has the molecular formula C16H12N4O3 and a molecular weight of 308.30 g/mol. Its IUPAC name is N-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]pyridin-4-amine.

Molecular Properties

Compound NameN-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]pyridin-4-amine
PubChem CID21208899
Molecular FormulaC16H12N4O3
Molecular Weight308.30 g/mol
Exact Mass308.09
IUPAC NameN-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]pyridin-4-amine
SMILESO=[N+]([O-])c1cccc(-c2ccc(/C=N/Nc3ccncc3)o2)c1
InChIInChI=1S/C16H12N4O3/c21-20(22)14-3-1-2-12(10-14)16-5-4-15(23-16)11-18-19-13-6-8-17-9-7-13/h1-11H,(H,17,19)/b18-11+
InChIKeyPLFNGBJSEPPXRI-WOJGMQOQSA-N
XLogP3.70
TPSA93.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-[5-(3-bromophenyl)furan-2-yl]methylideneamino]pyridin-4-amine
CID 21208907
N-[(E)-[5-(3,4-dimethyl-5-nitrophenyl)furan-2-yl]methylideneamino]pyridin-4-amine
CID 21208953
N-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]quinazolin-4-amine
CID 71966888
N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]quinazolin-4-amine
CID 7272693
3-N-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-1,2,4-triazole-3,4-diamine;hydrochloride
CID 18529853
[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]thiourea
CID 691890
N-[(E)-[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylideneamino]pyridin-4-amine
CID 21229319
N-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]pyridine-2-carboxamide
CID 831247
4-iodo-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline
CID 11840307
N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-4-nitroaniline
CID 5339495
4,6-dimorpholin-4-yl-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-1,3,5-triazin-2-amine
CID 6244076
3-iodo-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 94846741

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]pyridin-4-amine?
The IUPAC name of N-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]pyridin-4-amine (CID 21208899) is N-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]pyridin-4-amine.
What is the SMILES notation for N-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]pyridin-4-amine?
The canonical SMILES for N-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]pyridin-4-amine is O=[N+]([O-])c1cccc(-c2ccc(/C=N/Nc3ccncc3)o2)c1.
What is the InChIKey of N-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]pyridin-4-amine?
The InChIKey is PLFNGBJSEPPXRI-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H12N4O3/c21-20(22)14-3-1-2-12(10-14)16-5-4-15(23-16)11-18-19-13-6-8-17-9-7-13/h1-11H,(H,17,19)/b18-11+.
What are the key properties of N-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]pyridin-4-amine?
N-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]pyridin-4-amine has a molecular weight of 308.30 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]pyridin-4-amine is sourced from PubChem (CID 21208899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).