3-nitro-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]pyridin-2-amine

C16H12N4O3S — CID 126096053

IUPAC3-nitro-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]pyridin-2-amine
SMILESO=[N+]([O-])c1cccnc1N/N=C\c1ccc(Sc2ccccc2)o1
InChIInChI=1S/C16H12N4O3S/c21-20(22)14-7-4-10-17-16(14)19-18-11-12-8-9-15(23-12)24-13-5-2-1-3-6-13/h1-11H,(H,17,19)/b18-11-
InChIKeyOVXJSSRNPDJXNA-WQRHYEAKSA-N
MW340.36 g/mol
LogP4.18
Rot. Bonds6

About 3-nitro-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]pyridin-2-amine

3-nitro-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]pyridin-2-amine (PubChem CID 126096053) has the molecular formula C16H12N4O3S and a molecular weight of 340.36 g/mol. Its IUPAC name is 3-nitro-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]pyridin-2-amine.

Molecular Properties

Compound Name3-nitro-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]pyridin-2-amine
PubChem CID126096053
Molecular FormulaC16H12N4O3S
Molecular Weight340.36 g/mol
Exact Mass340.06
IUPAC Name3-nitro-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]pyridin-2-amine
SMILESO=[N+]([O-])c1cccnc1N/N=C\c1ccc(Sc2ccccc2)o1
InChIInChI=1S/C16H12N4O3S/c21-20(22)14-7-4-10-17-16(14)19-18-11-12-8-9-15(23-12)24-13-5-2-1-3-6-13/h1-11H,(H,17,19)/b18-11-
InChIKeyOVXJSSRNPDJXNA-WQRHYEAKSA-N
XLogP4.18
TPSA93.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-3-nitropyridin-2-amine
CID 126115052
2-(2-nitrophenyl)-N-[(5-phenylsulfanylfuran-2-yl)methylideneamino]acetamide
CID 3615840
3-nitro-N-[(Z)-(5-piperidin-1-ylfuran-2-yl)methylideneamino]pyridin-2-amine
CID 126106049
N-[(Z)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-3-nitropyridin-2-amine
CID 126100606
2-[[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 3091226
N-[(Z)-(4-fluorophenyl)methylideneamino]-3-nitropyridin-2-amine
CID 126106016
4-methyl-3-[5-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 126103601
2-nitro-N-[(E)-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide
CID 51660057
3-nitro-N-[(Z)-thiophen-3-ylmethylideneamino]pyridin-2-amine
CID 126111430
N-[(Z)-furan-3-ylmethylideneamino]-3-nitropyridin-2-amine
CID 126100579
3-nitro-N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]pyridin-2-amine
CID 126097786
N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]-3-nitropyridin-2-amine
CID 126124527

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]pyridin-2-amine?
The IUPAC name of 3-nitro-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]pyridin-2-amine (CID 126096053) is 3-nitro-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]pyridin-2-amine.
What is the SMILES notation for 3-nitro-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]pyridin-2-amine?
The canonical SMILES for 3-nitro-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]pyridin-2-amine is O=[N+]([O-])c1cccnc1N/N=C\c1ccc(Sc2ccccc2)o1.
What is the InChIKey of 3-nitro-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]pyridin-2-amine?
The InChIKey is OVXJSSRNPDJXNA-WQRHYEAKSA-N. The full InChI is InChI=1S/C16H12N4O3S/c21-20(22)14-7-4-10-17-16(14)19-18-11-12-8-9-15(23-12)24-13-5-2-1-3-6-13/h1-11H,(H,17,19)/b18-11-.
What are the key properties of 3-nitro-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]pyridin-2-amine?
3-nitro-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]pyridin-2-amine has a molecular weight of 340.36 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]pyridin-2-amine is sourced from PubChem (CID 126096053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).