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

C15H14N4O4 — CID 5340759

IUPACN-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]pyridine-4-carboxamide
SMILESCOc1ccc(/C(C)=N/NC(=O)c2ccncc2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H14N4O4/c1-10(17-18-15(20)11-5-7-16-8-6-11)12-3-4-14(23-2)13(9-12)19(21)22/h3-9H,1-2H3,(H,18,20)/b17-10+
InChIKeyFDGPOYXOXQSDPO-LICLKQGHSA-N
MW314.30 g/mol
LogP2.15
Rot. Bonds5

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

N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]pyridine-4-carboxamide (PubChem CID 5340759) has the molecular formula C15H14N4O4 and a molecular weight of 314.30 g/mol. Its IUPAC name is N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]pyridine-4-carboxamide
PubChem CID5340759
Molecular FormulaC15H14N4O4
Molecular Weight314.30 g/mol
Exact Mass314.10
IUPAC NameN-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]pyridine-4-carboxamide
SMILESCOc1ccc(/C(C)=N/NC(=O)c2ccncc2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H14N4O4/c1-10(17-18-15(20)11-5-7-16-8-6-11)12-3-4-14(23-2)13(9-12)19(21)22/h3-9H,1-2H3,(H,18,20)/b17-10+
InChIKeyFDGPOYXOXQSDPO-LICLKQGHSA-N
XLogP2.15
TPSA106.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 52.15
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)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]pyridine-4-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

N'-[(E)-(4-hydroxy-3-nitrophenyl)methylidene]pyridine-4-carbohydrazide
CID 135610577
N'-(4-methoxybenzylidene)isonicotinohydrazide
CID 5390727
N'-(2-methoxybenzylidene)isonicotinohydrazide
CID 9568164
4-methoxy-3-nitro-N-pyridin-4-ylbenzamide
CID 873067
N'-(4-methoxy-3-nitrobenzoyl)pyridine-4-carbohydrazide
CID 5087025
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1-oxidopyridin-1-ium-4-carboxamide
CID 6899232
N'-[(1E)-(2,4-dimethoxy-5-nitrophenyl)methylene]isonicotinohydrazide
CID 9552390
N-{3-[N-({2-nitrophenoxy}acetyl)ethanehydrazonoyl]phenyl}isonicotinamide
CID 9617799
N'-(4,5-dimethoxy-2-nitrobenzylidene)isonicotinohydrazide
CID 9556736
N-(2-methoxyphenyl)isonicotinamide 1-oxide
CID 786463
N'-(3-Methoxybenzylidene)isonicotinohydrazide
CID 6787085
Isonicotinoyl hydrazone of ortho-anisaldehyde
CID 242007

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]pyridine-4-carboxamide (CID 5340759) is N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]pyridine-4-carboxamide is COc1ccc(/C(C)=N/NC(=O)c2ccncc2)cc1[N+](=O)[O-].
What is the InChIKey of N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]pyridine-4-carboxamide?
The InChIKey is FDGPOYXOXQSDPO-LICLKQGHSA-N. The full InChI is InChI=1S/C15H14N4O4/c1-10(17-18-15(20)11-5-7-16-8-6-11)12-3-4-14(23-2)13(9-12)19(21)22/h3-9H,1-2H3,(H,18,20)/b17-10+.
What are the key properties of N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]pyridine-4-carboxamide?
N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]pyridine-4-carboxamide has a molecular weight of 314.30 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 5340759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).