N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyridin-2-amine

C10H8N4O3 — CID 5339902

IUPACN-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyridin-2-amine
SMILESO=[N+]([O-])c1ccc(/C=N/Nc2ccccn2)o1
InChIInChI=1S/C10H8N4O3/c15-14(16)10-5-4-8(17-10)7-12-13-9-3-1-2-6-11-9/h1-7H,(H,11,13)/b12-7+
InChIKeyHZRGLMQPBLCMHB-KPKJPENVSA-N
MW232.20 g/mol
LogP2.03
Rot. Bonds4

About N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyridin-2-amine

N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyridin-2-amine (PubChem CID 5339902) has the molecular formula C10H8N4O3 and a molecular weight of 232.20 g/mol. Its IUPAC name is N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyridin-2-amine.

Molecular Properties

Compound NameN-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyridin-2-amine
PubChem CID5339902
Molecular FormulaC10H8N4O3
Molecular Weight232.20 g/mol
Exact Mass232.06
IUPAC NameN-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyridin-2-amine
SMILESO=[N+]([O-])c1ccc(/C=N/Nc2ccccn2)o1
InChIInChI=1S/C10H8N4O3/c15-14(16)10-5-4-8(17-10)7-12-13-9-3-1-2-6-11-9/h1-7H,(H,11,13)/b12-7+
InChIKeyHZRGLMQPBLCMHB-KPKJPENVSA-N
XLogP2.03
TPSA93.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 52.03
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-[[1-methyl-3-(5-nitrofuran-2-yl)pyrazol-4-yl]methylideneamino]pyridin-2-amine
CID 54116417
4-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]quinolin-2-amine
CID 6248090
2-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]benzoate
CID 7441988
2-[2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]benzoic acid
CID 3584414
N-[(5-nitrofuran-2-yl)methylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 4702631
2-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide
CID 3430896
N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 569827
N-[(4-bromo-3-nitrophenyl)methylideneamino]pyridin-2-amine
CID 84888865
2,4-dinitro-6-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 135458967
7-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]quinolin-4-amine
CID 4083692
6-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione
CID 6299832
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenoxyacetamide
CID 6322955

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyridin-2-amine?
The IUPAC name of N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyridin-2-amine (CID 5339902) is N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyridin-2-amine.
What is the SMILES notation for N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyridin-2-amine?
The canonical SMILES for N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyridin-2-amine is O=[N+]([O-])c1ccc(/C=N/Nc2ccccn2)o1.
What is the InChIKey of N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyridin-2-amine?
The InChIKey is HZRGLMQPBLCMHB-KPKJPENVSA-N. The full InChI is InChI=1S/C10H8N4O3/c15-14(16)10-5-4-8(17-10)7-12-13-9-3-1-2-6-11-9/h1-7H,(H,11,13)/b12-7+.
What are the key properties of N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyridin-2-amine?
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyridin-2-amine has a molecular weight of 232.20 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyridin-2-amine is sourced from PubChem (CID 5339902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).