6-(4-ethoxy-2-methoxyphenyl)-N-[(E)-(4-fluoro-3,5-dimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide

C23H23FN4O5 — CID 167450798

IUPAC6-(4-ethoxy-2-methoxyphenyl)-N-[(E)-(4-fluoro-3,5-dimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
SMILESCCOc1ccc(-c2cncc(C(=O)N/N=C/c3cc(OC)c(F)c(OC)c3)n2)c(OC)c1
InChIInChI=1S/C23H23FN4O5/c1-5-33-15-6-7-16(19(10-15)30-2)17-12-25-13-18(27-17)23(29)28-26-11-14-8-20(31-3)22(24)21(9-14)32-4/h6-13H,5H2,1-4H3,(H,28,29)/b26-11+
InChIKeyOLJBHQKWIQXXQP-KBKYJPHKSA-N
MW454.46 g/mol
LogP3.47
Rot. Bonds9

About 6-(4-ethoxy-2-methoxyphenyl)-N-[(E)-(4-fluoro-3,5-dimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide

6-(4-ethoxy-2-methoxyphenyl)-N-[(E)-(4-fluoro-3,5-dimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide (PubChem CID 167450798) has the molecular formula C23H23FN4O5 and a molecular weight of 454.46 g/mol. Its IUPAC name is 6-(4-ethoxy-2-methoxyphenyl)-N-[(E)-(4-fluoro-3,5-dimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(4-ethoxy-2-methoxyphenyl)-N-[(E)-(4-fluoro-3,5-dimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
PubChem CID167450798
Molecular FormulaC23H23FN4O5
Molecular Weight454.46 g/mol
Exact Mass454.17
IUPAC Name6-(4-ethoxy-2-methoxyphenyl)-N-[(E)-(4-fluoro-3,5-dimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
SMILESCCOc1ccc(-c2cncc(C(=O)N/N=C/c3cc(OC)c(F)c(OC)c3)n2)c(OC)c1
InChIInChI=1S/C23H23FN4O5/c1-5-33-15-6-7-16(19(10-15)30-2)17-12-25-13-18(27-17)23(29)28-26-11-14-8-20(31-3)22(24)21(9-14)32-4/h6-13H,5H2,1-4H3,(H,28,29)/b26-11+
InChIKeyOLJBHQKWIQXXQP-KBKYJPHKSA-N
XLogP3.47
TPSA104.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.46
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

6-(4-ethoxy-2-methoxyphenyl)-N-[(E)-(3-fluoro-5-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 167450863
6-(4-ethoxyphenyl)-N-[(4-fluoro-3,5-dimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 175559902
6-(4-ethoxyphenyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 171771765
6-(4-ethoxy-2-propan-2-yloxyphenyl)-N-[(E)-(3-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 167450587
N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)pyrazine-2-carboxamide
CID 171771767
N-[(3,5-dimethoxyphenyl)methylideneamino]-6-[4-methoxy-2-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide
CID 174239640
6-(4-methoxyphenyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 167450912
N-[(2,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)pyrazine-2-carboxamide
CID 175559864
6-(4-ethoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methylideneamino]pyrazine-2-carboxamide
CID 175559978
N-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)-4-fluoropyridine-2-carboxamide
CID 174239572
6-(3-chloro-4-ethoxyphenyl)-N-[(3,5-dimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 175559840
N-[(E)-[3-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]methylideneamino]-6-(4-ethoxyphenyl)pyrazine-2-carboxamide
CID 167450813

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxy-2-methoxyphenyl)-N-[(E)-(4-fluoro-3,5-dimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide?
The IUPAC name of 6-(4-ethoxy-2-methoxyphenyl)-N-[(E)-(4-fluoro-3,5-dimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide (CID 167450798) is 6-(4-ethoxy-2-methoxyphenyl)-N-[(E)-(4-fluoro-3,5-dimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide.
What is the SMILES notation for 6-(4-ethoxy-2-methoxyphenyl)-N-[(E)-(4-fluoro-3,5-dimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide?
The canonical SMILES for 6-(4-ethoxy-2-methoxyphenyl)-N-[(E)-(4-fluoro-3,5-dimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide is CCOc1ccc(-c2cncc(C(=O)N/N=C/c3cc(OC)c(F)c(OC)c3)n2)c(OC)c1.
What is the InChIKey of 6-(4-ethoxy-2-methoxyphenyl)-N-[(E)-(4-fluoro-3,5-dimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide?
The InChIKey is OLJBHQKWIQXXQP-KBKYJPHKSA-N. The full InChI is InChI=1S/C23H23FN4O5/c1-5-33-15-6-7-16(19(10-15)30-2)17-12-25-13-18(27-17)23(29)28-26-11-14-8-20(31-3)22(24)21(9-14)32-4/h6-13H,5H2,1-4H3,(H,28,29)/b26-11+.
What are the key properties of 6-(4-ethoxy-2-methoxyphenyl)-N-[(E)-(4-fluoro-3,5-dimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide?
6-(4-ethoxy-2-methoxyphenyl)-N-[(E)-(4-fluoro-3,5-dimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide has a molecular weight of 454.46 g/mol, XLogP of 3.47, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxy-2-methoxyphenyl)-N-[(E)-(4-fluoro-3,5-dimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide is sourced from PubChem (CID 167450798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).