N-[(E)-[3-methoxy-2-[(2-nitrophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide

C21H18N4O5 — CID 139070793

IUPACN-[(E)-[3-methoxy-2-[(2-nitrophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide
SMILESCOc1cccc(/C=N/NC(=O)c2ccncc2)c1OCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C21H18N4O5/c1-29-19-8-4-6-16(13-23-24-21(26)15-9-11-22-12-10-15)20(19)30-14-17-5-2-3-7-18(17)25(27)28/h2-13H,14H2,1H3,(H,24,26)/b23-13+
InChIKeyNSXUMTPOVBOYCU-YDZHTSKRSA-N
MW406.40 g/mol
LogP3.34
Rot. Bonds8

About N-[(E)-[3-methoxy-2-[(2-nitrophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide

N-[(E)-[3-methoxy-2-[(2-nitrophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide (PubChem CID 139070793) has the molecular formula C21H18N4O5 and a molecular weight of 406.40 g/mol. Its IUPAC name is N-[(E)-[3-methoxy-2-[(2-nitrophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-[3-methoxy-2-[(2-nitrophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide
PubChem CID139070793
Molecular FormulaC21H18N4O5
Molecular Weight406.40 g/mol
Exact Mass406.13
IUPAC NameN-[(E)-[3-methoxy-2-[(2-nitrophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide
SMILESCOc1cccc(/C=N/NC(=O)c2ccncc2)c1OCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C21H18N4O5/c1-29-19-8-4-6-16(13-23-24-21(26)15-9-11-22-12-10-15)20(19)30-14-17-5-2-3-7-18(17)25(27)28/h2-13H,14H2,1H3,(H,24,26)/b23-13+
InChIKeyNSXUMTPOVBOYCU-YDZHTSKRSA-N
XLogP3.34
TPSA115.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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)-[3-methoxy-2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 126095162
N-[(E)-[2-(2-nitrophenoxy)phenyl]methylideneamino]pyridine-4-carboxamide
CID 6870476
N-[(4-methoxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide
CID 904375
N-[(E)-(2-ethoxy-3-methoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 110506616
chloroform;N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 139060030
3,4,5-trimethoxy-N-[(E)-(2-nitrophenyl)methylideneamino]benzamide
CID 6875972
3,4,5-trimethoxy-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide
CID 5435097
N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide
CID 9015092
4-bromo-N-[(E)-[3-methoxy-2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 126082904
N-[(Z)-(4-ethoxy-3-methoxy-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide
CID 110514733
N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-methyl-3-nitrobenzamide
CID 94847959
4-decoxy-N-[(Z)-[2-[(2-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6274766

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[3-methoxy-2-[(2-nitrophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-[3-methoxy-2-[(2-nitrophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide (CID 139070793) is N-[(E)-[3-methoxy-2-[(2-nitrophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-[3-methoxy-2-[(2-nitrophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-[3-methoxy-2-[(2-nitrophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide is COc1cccc(/C=N/NC(=O)c2ccncc2)c1OCc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[(E)-[3-methoxy-2-[(2-nitrophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide?
The InChIKey is NSXUMTPOVBOYCU-YDZHTSKRSA-N. The full InChI is InChI=1S/C21H18N4O5/c1-29-19-8-4-6-16(13-23-24-21(26)15-9-11-22-12-10-15)20(19)30-14-17-5-2-3-7-18(17)25(27)28/h2-13H,14H2,1H3,(H,24,26)/b23-13+.
What are the key properties of N-[(E)-[3-methoxy-2-[(2-nitrophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide?
N-[(E)-[3-methoxy-2-[(2-nitrophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide has a molecular weight of 406.40 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[3-methoxy-2-[(2-nitrophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 139070793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).