N-[(E)-1-(3-nitrophenyl)ethylideneamino]pyridine-4-carboxamide

C14H12N4O3 — CID 7124405

IUPACN-[(E)-1-(3-nitrophenyl)ethylideneamino]pyridine-4-carboxamide
SMILESC/C(=N\NC(=O)c1ccncc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H12N4O3/c1-10(12-3-2-4-13(9-12)18(20)21)16-17-14(19)11-5-7-15-8-6-11/h2-9H,1H3,(H,17,19)/b16-10+
InChIKeyALMUWYRJSIOTBQ-MHWRWJLKSA-N
MW284.28 g/mol
LogP2.14
Rot. Bonds4

About N-[(E)-1-(3-nitrophenyl)ethylideneamino]pyridine-4-carboxamide

N-[(E)-1-(3-nitrophenyl)ethylideneamino]pyridine-4-carboxamide (PubChem CID 7124405) has the molecular formula C14H12N4O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is N-[(E)-1-(3-nitrophenyl)ethylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(3-nitrophenyl)ethylideneamino]pyridine-4-carboxamide
PubChem CID7124405
Molecular FormulaC14H12N4O3
Molecular Weight284.28 g/mol
Exact Mass284.09
IUPAC NameN-[(E)-1-(3-nitrophenyl)ethylideneamino]pyridine-4-carboxamide
SMILESC/C(=N\NC(=O)c1ccncc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H12N4O3/c1-10(12-3-2-4-13(9-12)18(20)21)16-17-14(19)11-5-7-15-8-6-11/h2-9H,1H3,(H,17,19)/b16-10+
InChIKeyALMUWYRJSIOTBQ-MHWRWJLKSA-N
XLogP2.14
TPSA97.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3-nitro-N-[1-(3-nitrophenyl)ethylideneamino]benzamide
CID 2790127
4-bromo-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]benzamide
CID 6067087
4-bromo-N-[(E)-1-(3-nitrophenyl)ethylideneamino]benzamide
CID 7350323
N-[1-(3-methylphenyl)ethylideneamino]-3-nitrobenzamide
CID 3472309
3-nitro-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 4148309
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-3-nitrobenzamide
CID 6005779
N,N'-bis[(Z)-1-(3-nitrophenyl)ethylideneamino]oxamide
CID 6310047
N-[(E)-1-(3-nitrophenyl)ethylideneamino]pyridine-2-carboxamide
CID 5334715
N-[1-(4-tert-butylphenyl)ethylideneamino]-3-nitrobenzamide
CID 3383793
N-[1-(4-fluorophenyl)ethylideneamino]-3-nitrobenzamide
CID 3353114
N-[(Z)-1-(3-nitrophenyl)ethylideneamino]thiophene-2-carboxamide
CID 5402036
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-3-nitrobenzamide
CID 5448440

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(3-nitrophenyl)ethylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-1-(3-nitrophenyl)ethylideneamino]pyridine-4-carboxamide (CID 7124405) is N-[(E)-1-(3-nitrophenyl)ethylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-1-(3-nitrophenyl)ethylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-1-(3-nitrophenyl)ethylideneamino]pyridine-4-carboxamide is C/C(=N\NC(=O)c1ccncc1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[(E)-1-(3-nitrophenyl)ethylideneamino]pyridine-4-carboxamide?
The InChIKey is ALMUWYRJSIOTBQ-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H12N4O3/c1-10(12-3-2-4-13(9-12)18(20)21)16-17-14(19)11-5-7-15-8-6-11/h2-9H,1H3,(H,17,19)/b16-10+.
What are the key properties of N-[(E)-1-(3-nitrophenyl)ethylideneamino]pyridine-4-carboxamide?
N-[(E)-1-(3-nitrophenyl)ethylideneamino]pyridine-4-carboxamide has a molecular weight of 284.28 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(3-nitrophenyl)ethylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 7124405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).