N-[2-[2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide

C13H11N5O5 — CID 3417730

IUPACN-[2-[2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide
SMILESO=C(CNC(=O)c1cccnc1)NN=Cc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C13H11N5O5/c19-11(8-15-13(20)9-2-1-5-14-6-9)17-16-7-10-3-4-12(23-10)18(21)22/h1-7H,8H2,(H,15,20)(H,17,19)
InChIKeyBTOSTLUZEJFTLR-UHFFFAOYSA-N
MW317.26 g/mol
LogP0.46
Rot. Bonds6

About N-[2-[2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide

N-[2-[2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide (PubChem CID 3417730) has the molecular formula C13H11N5O5 and a molecular weight of 317.26 g/mol. Its IUPAC name is N-[2-[2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide
PubChem CID3417730
Molecular FormulaC13H11N5O5
Molecular Weight317.26 g/mol
Exact Mass317.08
IUPAC NameN-[2-[2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide
SMILESO=C(CNC(=O)c1cccnc1)NN=Cc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C13H11N5O5/c19-11(8-15-13(20)9-2-1-5-14-6-9)17-16-7-10-3-4-12(23-10)18(21)22/h1-7H,8H2,(H,15,20)(H,17,19)
InChIKeyBTOSTLUZEJFTLR-UHFFFAOYSA-N
XLogP0.46
TPSA139.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 50.46
H-Bond Donors ≤ 52
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-[2-[(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6893438
4-tert-butyl-N-[2-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6382765
N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 569827
N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide
CID 5414471
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenoxyacetamide
CID 6322955
5-bromo-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide
CID 5404739
2-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide
CID 3430896
N-[(5-nitrofuran-2-yl)methylideneamino]-3-phenylpropanamide
CID 913455
3-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 5404081
3-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 721907
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenylsulfanylacetamide
CID 100801815
4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 172987811

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide (CID 3417730) is N-[2-[2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide is O=C(CNC(=O)c1cccnc1)NN=Cc1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-[2-[2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide?
The InChIKey is BTOSTLUZEJFTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O5/c19-11(8-15-13(20)9-2-1-5-14-6-9)17-16-7-10-3-4-12(23-10)18(21)22/h1-7H,8H2,(H,15,20)(H,17,19).
What are the key properties of N-[2-[2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide?
N-[2-[2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide has a molecular weight of 317.26 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide is sourced from PubChem (CID 3417730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).