1-ethyl-N-[(Z)-(3-methoxy-2-phenylmethoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide

C23H23N3O4 — CID 110523261

IUPAC1-ethyl-N-[(Z)-(3-methoxy-2-phenylmethoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
SMILESCCn1cccc(C(=O)N/N=C\c2cccc(OC)c2OCc2ccccc2)c1=O
InChIInChI=1S/C23H23N3O4/c1-3-26-14-8-12-19(23(26)28)22(27)25-24-15-18-11-7-13-20(29-2)21(18)30-16-17-9-5-4-6-10-17/h4-15H,3,16H2,1-2H3,(H,25,27)/b24-15-
InChIKeyYQUFKYAAZCGUFV-IWIPYMOSSA-N
MW405.45 g/mol
LogP3.22
Rot. Bonds8

About 1-ethyl-N-[(Z)-(3-methoxy-2-phenylmethoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide

1-ethyl-N-[(Z)-(3-methoxy-2-phenylmethoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide (PubChem CID 110523261) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is 1-ethyl-N-[(Z)-(3-methoxy-2-phenylmethoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(Z)-(3-methoxy-2-phenylmethoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
PubChem CID110523261
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name1-ethyl-N-[(Z)-(3-methoxy-2-phenylmethoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
SMILESCCn1cccc(C(=O)N/N=C\c2cccc(OC)c2OCc2ccccc2)c1=O
InChIInChI=1S/C23H23N3O4/c1-3-26-14-8-12-19(23(26)28)22(27)25-24-15-18-11-7-13-20(29-2)21(18)30-16-17-9-5-4-6-10-17/h4-15H,3,16H2,1-2H3,(H,25,27)/b24-15-
InChIKeyYQUFKYAAZCGUFV-IWIPYMOSSA-N
XLogP3.22
TPSA81.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.22
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

1-ethyl-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523247
2-amino-N-[(E)-(3-methoxy-2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 110339182
1-[(3-chlorophenyl)methyl]-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524267
4-amino-N-[(Z)-(3-methoxy-2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 110514932
N-[[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-fluorobenzamide
CID 4174378
1-[(4-chlorophenyl)methyl]-N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524114
N-[(Z)-(2-ethoxy-3-methoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 110509480
2-methoxy-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]benzamide
CID 110505829
1-[(3-methoxy-2-phenylmethoxyphenyl)methylideneamino]-3-methylthiourea
CID 4607886
1-ethyl-3-[(E)-(3-methoxy-2-phenylmethoxyphenyl)methylideneamino]thiourea
CID 7710641
1-ethyl-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523428
1-ethyl-N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523250

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(Z)-(3-methoxy-2-phenylmethoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-ethyl-N-[(Z)-(3-methoxy-2-phenylmethoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide (CID 110523261) is 1-ethyl-N-[(Z)-(3-methoxy-2-phenylmethoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(Z)-(3-methoxy-2-phenylmethoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[(Z)-(3-methoxy-2-phenylmethoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide is CCn1cccc(C(=O)N/N=C\c2cccc(OC)c2OCc2ccccc2)c1=O.
What is the InChIKey of 1-ethyl-N-[(Z)-(3-methoxy-2-phenylmethoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide?
The InChIKey is YQUFKYAAZCGUFV-IWIPYMOSSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-3-26-14-8-12-19(23(26)28)22(27)25-24-15-18-11-7-13-20(29-2)21(18)30-16-17-9-5-4-6-10-17/h4-15H,3,16H2,1-2H3,(H,25,27)/b24-15-.
What are the key properties of 1-ethyl-N-[(Z)-(3-methoxy-2-phenylmethoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide?
1-ethyl-N-[(Z)-(3-methoxy-2-phenylmethoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide has a molecular weight of 405.45 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(Z)-(3-methoxy-2-phenylmethoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 110523261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).