N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-1-ethyl-2-oxopyridine-3-carboxamide

C25H27N3O4 — CID 110523258

IUPACN-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-1-ethyl-2-oxopyridine-3-carboxamide
SMILESCCOc1cc(/C=N\NC(=O)c2cccn(CC)c2=O)ccc1OCc1ccc(C)cc1
InChIInChI=1S/C25H27N3O4/c1-4-28-14-6-7-21(25(28)30)24(29)27-26-16-20-12-13-22(23(15-20)31-5-2)32-17-19-10-8-18(3)9-11-19/h6-16H,4-5,17H2,1-3H3,(H,27,29)/b26-16-
InChIKeyMTZLXMSECXWGPP-QQXSKIMKSA-N
MW433.51 g/mol
LogP3.92
Rot. Bonds9

About N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-1-ethyl-2-oxopyridine-3-carboxamide

N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-1-ethyl-2-oxopyridine-3-carboxamide (PubChem CID 110523258) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-1-ethyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-1-ethyl-2-oxopyridine-3-carboxamide
PubChem CID110523258
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC NameN-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-1-ethyl-2-oxopyridine-3-carboxamide
SMILESCCOc1cc(/C=N\NC(=O)c2cccn(CC)c2=O)ccc1OCc1ccc(C)cc1
InChIInChI=1S/C25H27N3O4/c1-4-28-14-6-7-21(25(28)30)24(29)27-26-16-20-12-13-22(23(15-20)31-5-2)32-17-19-10-8-18(3)9-11-19/h6-16H,4-5,17H2,1-3H3,(H,27,29)/b26-16-
InChIKeyMTZLXMSECXWGPP-QQXSKIMKSA-N
XLogP3.92
TPSA81.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-1-ethyl-2-oxopyridine-3-carboxamide
CID 110523233
N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110523988
1-ethyl-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523247
N-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110524027
N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide
CID 110523456
N-[(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 110523657
N-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 4320049
N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 6068388
3-ethoxy-N-[(E)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-4-methoxybenzamide
CID 126308611
4-ethoxy-N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 29148864
1-ethyl-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523428
1-benzyl-N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 136874487

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-1-ethyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-1-ethyl-2-oxopyridine-3-carboxamide (CID 110523258) is N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-1-ethyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-1-ethyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-1-ethyl-2-oxopyridine-3-carboxamide is CCOc1cc(/C=N\NC(=O)c2cccn(CC)c2=O)ccc1OCc1ccc(C)cc1.
What is the InChIKey of N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-1-ethyl-2-oxopyridine-3-carboxamide?
The InChIKey is MTZLXMSECXWGPP-QQXSKIMKSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-4-28-14-6-7-21(25(28)30)24(29)27-26-16-20-12-13-22(23(15-20)31-5-2)32-17-19-10-8-18(3)9-11-19/h6-16H,4-5,17H2,1-3H3,(H,27,29)/b26-16-.
What are the key properties of N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-1-ethyl-2-oxopyridine-3-carboxamide?
N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-1-ethyl-2-oxopyridine-3-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 3.92, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-1-ethyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 110523258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).