6-(4-ethoxy-2-propan-2-yloxyphenyl)-N-[(E)-(3-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide

C24H26N4O4 — CID 167450587

IUPAC6-(4-ethoxy-2-propan-2-yloxyphenyl)-N-[(E)-(3-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide
SMILESCCOc1ccc(-c2cncc(C(=O)N/N=C/c3cccc(OC)c3)n2)c(OC(C)C)c1
InChIInChI=1S/C24H26N4O4/c1-5-31-19-9-10-20(23(12-19)32-16(2)3)21-14-25-15-22(27-21)24(29)28-26-13-17-7-6-8-18(11-17)30-4/h6-16H,5H2,1-4H3,(H,28,29)/b26-13+
InChIKeyBCTHVWQCVVFUHN-LGJNPRDNSA-N
MW434.50 g/mol
LogP4.10
Rot. Bonds9

About 6-(4-ethoxy-2-propan-2-yloxyphenyl)-N-[(E)-(3-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide

6-(4-ethoxy-2-propan-2-yloxyphenyl)-N-[(E)-(3-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide (PubChem CID 167450587) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is 6-(4-ethoxy-2-propan-2-yloxyphenyl)-N-[(E)-(3-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(4-ethoxy-2-propan-2-yloxyphenyl)-N-[(E)-(3-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide
PubChem CID167450587
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name6-(4-ethoxy-2-propan-2-yloxyphenyl)-N-[(E)-(3-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide
SMILESCCOc1ccc(-c2cncc(C(=O)N/N=C/c3cccc(OC)c3)n2)c(OC(C)C)c1
InChIInChI=1S/C24H26N4O4/c1-5-31-19-9-10-20(23(12-19)32-16(2)3)21-14-25-15-22(27-21)24(29)28-26-13-17-7-6-8-18(11-17)30-4/h6-16H,5H2,1-4H3,(H,28,29)/b26-13+
InChIKeyBCTHVWQCVVFUHN-LGJNPRDNSA-N
XLogP4.10
TPSA94.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-ethoxy-2-methoxyphenyl)-N-[(E)-(4-fluoro-3,5-dimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 167450798
N-[(E)-(3-ethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 44613929
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-ethoxyphenyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 171771765
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
6-(4-ethoxyphenyl)-N-[(4-fluoro-3,5-dimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 175559902
N-[(3-bromophenyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 175559898
N-[(Z)-(3-ethoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 40618803
5-ethoxy-N-[(E)-(3-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide
CID 6885743

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxy-2-propan-2-yloxyphenyl)-N-[(E)-(3-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide?
The IUPAC name of 6-(4-ethoxy-2-propan-2-yloxyphenyl)-N-[(E)-(3-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide (CID 167450587) is 6-(4-ethoxy-2-propan-2-yloxyphenyl)-N-[(E)-(3-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide.
What is the SMILES notation for 6-(4-ethoxy-2-propan-2-yloxyphenyl)-N-[(E)-(3-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide?
The canonical SMILES for 6-(4-ethoxy-2-propan-2-yloxyphenyl)-N-[(E)-(3-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide is CCOc1ccc(-c2cncc(C(=O)N/N=C/c3cccc(OC)c3)n2)c(OC(C)C)c1.
What is the InChIKey of 6-(4-ethoxy-2-propan-2-yloxyphenyl)-N-[(E)-(3-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide?
The InChIKey is BCTHVWQCVVFUHN-LGJNPRDNSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-5-31-19-9-10-20(23(12-19)32-16(2)3)21-14-25-15-22(27-21)24(29)28-26-13-17-7-6-8-18(11-17)30-4/h6-16H,5H2,1-4H3,(H,28,29)/b26-13+.
What are the key properties of 6-(4-ethoxy-2-propan-2-yloxyphenyl)-N-[(E)-(3-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide?
6-(4-ethoxy-2-propan-2-yloxyphenyl)-N-[(E)-(3-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 4.10, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxy-2-propan-2-yloxyphenyl)-N-[(E)-(3-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide is sourced from PubChem (CID 167450587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).