N-[(E)-[2-[2-(4-nitrophenoxy)ethoxy]phenyl]methylideneamino]pyridine-4-carboxamide

C21H18N4O5 — CID 5349322

IUPACN-[(E)-[2-[2-(4-nitrophenoxy)ethoxy]phenyl]methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C/c1ccccc1OCCOc1ccc([N+](=O)[O-])cc1)c1ccncc1
InChIInChI=1S/C21H18N4O5/c26-21(16-9-11-22-12-10-16)24-23-15-17-3-1-2-4-20(17)30-14-13-29-19-7-5-18(6-8-19)25(27)28/h1-12,15H,13-14H2,(H,24,26)/b23-15+
InChIKeyKHAPIKBUZYHPLV-HZHRSRAPSA-N
MW406.40 g/mol
LogP3.21
Rot. Bonds9

About N-[(E)-[2-[2-(4-nitrophenoxy)ethoxy]phenyl]methylideneamino]pyridine-4-carboxamide

N-[(E)-[2-[2-(4-nitrophenoxy)ethoxy]phenyl]methylideneamino]pyridine-4-carboxamide (PubChem CID 5349322) has the molecular formula C21H18N4O5 and a molecular weight of 406.40 g/mol. Its IUPAC name is N-[(E)-[2-[2-(4-nitrophenoxy)ethoxy]phenyl]methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-[2-[2-(4-nitrophenoxy)ethoxy]phenyl]methylideneamino]pyridine-4-carboxamide
PubChem CID5349322
Molecular FormulaC21H18N4O5
Molecular Weight406.40 g/mol
Exact Mass406.13
IUPAC NameN-[(E)-[2-[2-(4-nitrophenoxy)ethoxy]phenyl]methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C/c1ccccc1OCCOc1ccc([N+](=O)[O-])cc1)c1ccncc1
InChIInChI=1S/C21H18N4O5/c26-21(16-9-11-22-12-10-16)24-23-15-17-3-1-2-4-20(17)30-14-13-29-19-7-5-18(6-8-19)25(27)28/h1-12,15H,13-14H2,(H,24,26)/b23-15+
InChIKeyKHAPIKBUZYHPLV-HZHRSRAPSA-N
XLogP3.21
TPSA115.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[(E)-[2-(2-nitrophenoxy)phenyl]methylideneamino]pyridine-4-carboxamide
CID 6870476
N-[(2-ethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 690991
N-[(E)-[3-methoxy-2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 126095162
N-[(Z)-[2-[3-(2-methylphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 6090639
4-bromo-N-[(Z)-[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 126346827
4-chloro-N-[(E)-[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 21379718
[2-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-nitrobenzoate
CID 1100671
4-nitro-N-(quinoxalin-5-ylmethylideneamino)benzamide
CID 3782779
N-[(E)-(2-chlorophenyl)methylideneamino]-4-nitrobenzamide
CID 7290572
N-[(Z)-(2-fluoro-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide
CID 5401153
N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-nitrobenzamide
CID 124541111
4-[[2-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]phenoxy]methyl]benzoic acid
CID 6875276

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-[2-(4-nitrophenoxy)ethoxy]phenyl]methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-[2-[2-(4-nitrophenoxy)ethoxy]phenyl]methylideneamino]pyridine-4-carboxamide (CID 5349322) is N-[(E)-[2-[2-(4-nitrophenoxy)ethoxy]phenyl]methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-[2-[2-(4-nitrophenoxy)ethoxy]phenyl]methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-[2-[2-(4-nitrophenoxy)ethoxy]phenyl]methylideneamino]pyridine-4-carboxamide is O=C(N/N=C/c1ccccc1OCCOc1ccc([N+](=O)[O-])cc1)c1ccncc1.
What is the InChIKey of N-[(E)-[2-[2-(4-nitrophenoxy)ethoxy]phenyl]methylideneamino]pyridine-4-carboxamide?
The InChIKey is KHAPIKBUZYHPLV-HZHRSRAPSA-N. The full InChI is InChI=1S/C21H18N4O5/c26-21(16-9-11-22-12-10-16)24-23-15-17-3-1-2-4-20(17)30-14-13-29-19-7-5-18(6-8-19)25(27)28/h1-12,15H,13-14H2,(H,24,26)/b23-15+.
What are the key properties of N-[(E)-[2-[2-(4-nitrophenoxy)ethoxy]phenyl]methylideneamino]pyridine-4-carboxamide?
N-[(E)-[2-[2-(4-nitrophenoxy)ethoxy]phenyl]methylideneamino]pyridine-4-carboxamide has a molecular weight of 406.40 g/mol, XLogP of 3.21, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-[2-(4-nitrophenoxy)ethoxy]phenyl]methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 5349322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).