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

C19H14N4O4 — CID 6870476

IUPACN-[(E)-[2-(2-nitrophenoxy)phenyl]methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C/c1ccccc1Oc1ccccc1[N+](=O)[O-])c1ccncc1
InChIInChI=1S/C19H14N4O4/c24-19(14-9-11-20-12-10-14)22-21-13-15-5-1-3-7-17(15)27-18-8-4-2-6-16(18)23(25)26/h1-13H,(H,22,24)/b21-13+
InChIKeyXWDBVLONBMSSFJ-FYJGNVAPSA-N
MW362.35 g/mol
LogP3.55
Rot. Bonds6

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

N-[(E)-[2-(2-nitrophenoxy)phenyl]methylideneamino]pyridine-4-carboxamide (PubChem CID 6870476) has the molecular formula C19H14N4O4 and a molecular weight of 362.35 g/mol. Its IUPAC name is N-[(E)-[2-(2-nitrophenoxy)phenyl]methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-[2-(2-nitrophenoxy)phenyl]methylideneamino]pyridine-4-carboxamide
PubChem CID6870476
Molecular FormulaC19H14N4O4
Molecular Weight362.35 g/mol
Exact Mass362.10
IUPAC NameN-[(E)-[2-(2-nitrophenoxy)phenyl]methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C/c1ccccc1Oc1ccccc1[N+](=O)[O-])c1ccncc1
InChIInChI=1S/C19H14N4O4/c24-19(14-9-11-20-12-10-14)22-21-13-15-5-1-3-7-17(15)27-18-8-4-2-6-16(18)23(25)26/h1-13H,(H,22,24)/b21-13+
InChIKeyXWDBVLONBMSSFJ-FYJGNVAPSA-N
XLogP3.55
TPSA106.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 53.55
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'}

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Related Compounds

N-[(E)-[2-[2-(4-nitrophenoxy)ethoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 5349322
N-[(E)-[3-methoxy-2-[(2-nitrophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 139070793
N-[(2-ethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 690991
N-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]pyridine-4-carboxamide
CID 135479212
N-[(2-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 690992
N-[(Z)-[2-[3-(2-methylphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 6090639
N-[(2-nitrophenyl)methylideneamino]-4-sulfamoylbenzamide
CID 6737093
4-ethoxy-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide
CID 5403359
3,4,5-trimethoxy-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide
CID 5435097
3,4,5-trimethoxy-N-[(E)-(2-nitrophenyl)methylideneamino]benzamide
CID 6875972
N-[(2-ethoxyphenyl)methylideneamino]-2-nitrobenzamide
CID 676026
N-[(Z)-(2-fluoro-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide
CID 5401153

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-(2-nitrophenoxy)phenyl]methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-[2-(2-nitrophenoxy)phenyl]methylideneamino]pyridine-4-carboxamide (CID 6870476) is N-[(E)-[2-(2-nitrophenoxy)phenyl]methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-[2-(2-nitrophenoxy)phenyl]methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-[2-(2-nitrophenoxy)phenyl]methylideneamino]pyridine-4-carboxamide is O=C(N/N=C/c1ccccc1Oc1ccccc1[N+](=O)[O-])c1ccncc1.
What is the InChIKey of N-[(E)-[2-(2-nitrophenoxy)phenyl]methylideneamino]pyridine-4-carboxamide?
The InChIKey is XWDBVLONBMSSFJ-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H14N4O4/c24-19(14-9-11-20-12-10-14)22-21-13-15-5-1-3-7-17(15)27-18-8-4-2-6-16(18)23(25)26/h1-13H,(H,22,24)/b21-13+.
What are the key properties of N-[(E)-[2-(2-nitrophenoxy)phenyl]methylideneamino]pyridine-4-carboxamide?
N-[(E)-[2-(2-nitrophenoxy)phenyl]methylideneamino]pyridine-4-carboxamide has a molecular weight of 362.35 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-(2-nitrophenoxy)phenyl]methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 6870476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).