N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]pyridine-2-carboxamide

C11H8N4O3S — CID 5334616

IUPACN-[(E)-(5-nitrothiophen-2-yl)methylideneamino]pyridine-2-carboxamide
SMILESO=C(N/N=C/c1ccc([N+](=O)[O-])s1)c1ccccn1
InChIInChI=1S/C11H8N4O3S/c16-11(9-3-1-2-6-12-9)14-13-7-8-4-5-10(19-8)15(17)18/h1-7H,(H,14,16)/b13-7+
InChIKeyZTWGHFOIOBUKEQ-NTUHNPAUSA-N
MW276.28 g/mol
LogP1.82
Rot. Bonds4

About N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]pyridine-2-carboxamide

N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]pyridine-2-carboxamide (PubChem CID 5334616) has the molecular formula C11H8N4O3S and a molecular weight of 276.28 g/mol. Its IUPAC name is N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(5-nitrothiophen-2-yl)methylideneamino]pyridine-2-carboxamide
PubChem CID5334616
Molecular FormulaC11H8N4O3S
Molecular Weight276.28 g/mol
Exact Mass276.03
IUPAC NameN-[(E)-(5-nitrothiophen-2-yl)methylideneamino]pyridine-2-carboxamide
SMILESO=C(N/N=C/c1ccc([N+](=O)[O-])s1)c1ccccn1
InChIInChI=1S/C11H8N4O3S/c16-11(9-3-1-2-6-12-9)14-13-7-8-4-5-10(19-8)15(17)18/h1-7H,(H,14,16)/b13-7+
InChIKeyZTWGHFOIOBUKEQ-NTUHNPAUSA-N
XLogP1.82
TPSA97.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 51.82
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'}

Analyze N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]benzamide
CID 6013567
N-[(2-hydroxy-3-nitrophenyl)methylideneamino]pyridine-2-carboxamide
CID 3707808
4-hydroxy-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]benzamide
CID 5406594
4-fluoro-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]benzamide
CID 6246125
4-hydroxy-N-[(5-nitrothiophen-2-yl)methylideneamino]benzamide
CID 789061
N-(thiophen-2-ylmethylideneamino)pyridine-2-carboxamide
CID 760257
4-methyl-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]benzamide
CID 5393549
2-chloro-N-[4-[[(Z)-(5-nitrothiophen-2-yl)methylideneamino]carbamoyl]phenyl]benzamide
CID 92847304
2-chloro-N-[4-[[(5-nitrothiophen-2-yl)methylideneamino]carbamoyl]phenyl]benzamide
CID 171135913
4-(dimethylamino)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]benzamide
CID 44593523
4-methoxy-N-[(5-nitrothiophen-2-yl)methylideneamino]benzamide
CID 3663595
3,4,5-trimethoxy-N-[(5-nitrothiophen-2-yl)methylideneamino]benzamide
CID 3317140

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]pyridine-2-carboxamide?
The IUPAC name of N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]pyridine-2-carboxamide (CID 5334616) is N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]pyridine-2-carboxamide?
The canonical SMILES for N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]pyridine-2-carboxamide is O=C(N/N=C/c1ccc([N+](=O)[O-])s1)c1ccccn1.
What is the InChIKey of N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]pyridine-2-carboxamide?
The InChIKey is ZTWGHFOIOBUKEQ-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H8N4O3S/c16-11(9-3-1-2-6-12-9)14-13-7-8-4-5-10(19-8)15(17)18/h1-7H,(H,14,16)/b13-7+.
What are the key properties of N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]pyridine-2-carboxamide?
N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]pyridine-2-carboxamide has a molecular weight of 276.28 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 5334616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).