N-[(Z)-(3,4-diethoxy-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide

C17H18N4O5 — CID 110514737

IUPACN-[(Z)-(3,4-diethoxy-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide
SMILESCCOc1cc(/C=N\NC(=O)c2ccncc2)cc([N+](=O)[O-])c1OCC
InChIInChI=1S/C17H18N4O5/c1-3-25-15-10-12(9-14(21(23)24)16(15)26-4-2)11-19-20-17(22)13-5-7-18-8-6-13/h5-11H,3-4H2,1-2H3,(H,20,22)/b19-11-
InChIKeyYNUSWROSBLIROE-ODLFYWEKSA-N
MW358.35 g/mol
LogP2.55
Rot. Bonds8

About N-[(Z)-(3,4-diethoxy-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide

N-[(Z)-(3,4-diethoxy-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide (PubChem CID 110514737) has the molecular formula C17H18N4O5 and a molecular weight of 358.35 g/mol. Its IUPAC name is N-[(Z)-(3,4-diethoxy-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(3,4-diethoxy-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide
PubChem CID110514737
Molecular FormulaC17H18N4O5
Molecular Weight358.35 g/mol
Exact Mass358.13
IUPAC NameN-[(Z)-(3,4-diethoxy-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide
SMILESCCOc1cc(/C=N\NC(=O)c2ccncc2)cc([N+](=O)[O-])c1OCC
InChIInChI=1S/C17H18N4O5/c1-3-25-15-10-12(9-14(21(23)24)16(15)26-4-2)11-19-20-17(22)13-5-7-18-8-6-13/h5-11H,3-4H2,1-2H3,(H,20,22)/b19-11-
InChIKeyYNUSWROSBLIROE-ODLFYWEKSA-N
XLogP2.55
TPSA115.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 52.55
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-[(Z)-(4-ethoxy-3-methoxy-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide
CID 110514733
N-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide
CID 135562273
2-amino-N-[(Z)-(3,4-diethoxy-5-nitrophenyl)methylideneamino]benzamide
CID 110512071
N-[(E)-(3-ethoxy-4-methoxy-5-nitrophenyl)methylideneamino]-3-nitrobenzamide
CID 110506741
N-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-4-hydroxybenzamide
CID 136733272
4-chloro-N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 135643459
N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 135538343
N-[(E)-[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 139070788
N-[(Z)-(4-ethoxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-sulfanylidene-1,3-dihydrobenzimidazole-5-carboxamide
CID 110522849
4-chloro-N-[(3,4-diethoxy-5-nitrophenyl)methylideneamino]aniline
CID 50887152
N-[(E)-(3-ethoxy-4-methoxy-5-nitrophenyl)methylideneamino]pentanamide
CID 110506874
N-[4-[(3,4-diethoxy-5-nitrophenyl)methylideneamino]phenyl]acetamide
CID 50887207

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,4-diethoxy-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(Z)-(3,4-diethoxy-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide (CID 110514737) is N-[(Z)-(3,4-diethoxy-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(Z)-(3,4-diethoxy-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(Z)-(3,4-diethoxy-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide is CCOc1cc(/C=N\NC(=O)c2ccncc2)cc([N+](=O)[O-])c1OCC.
What is the InChIKey of N-[(Z)-(3,4-diethoxy-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide?
The InChIKey is YNUSWROSBLIROE-ODLFYWEKSA-N. The full InChI is InChI=1S/C17H18N4O5/c1-3-25-15-10-12(9-14(21(23)24)16(15)26-4-2)11-19-20-17(22)13-5-7-18-8-6-13/h5-11H,3-4H2,1-2H3,(H,20,22)/b19-11-.
What are the key properties of N-[(Z)-(3,4-diethoxy-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide?
N-[(Z)-(3,4-diethoxy-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide has a molecular weight of 358.35 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,4-diethoxy-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 110514737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).