N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)-3-methoxypyrazine-2-carboxamide

C23H24N4O5 — CID 167450792

IUPACN-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)-3-methoxypyrazine-2-carboxamide
SMILESCCOc1ccc(-c2cnc(OC)c(C(=O)N/N=C/c3cc(OC)cc(OC)c3)n2)cc1
InChIInChI=1S/C23H24N4O5/c1-5-32-17-8-6-16(7-9-17)20-14-24-23(31-4)21(26-20)22(28)27-25-13-15-10-18(29-2)12-19(11-15)30-3/h6-14H,5H2,1-4H3,(H,27,28)/b25-13+
InChIKeyVCLLQOROXGQPQE-DHRITJCHSA-N
MW436.47 g/mol
LogP3.33
Rot. Bonds9

About N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)-3-methoxypyrazine-2-carboxamide

N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)-3-methoxypyrazine-2-carboxamide (PubChem CID 167450792) has the molecular formula C23H24N4O5 and a molecular weight of 436.47 g/mol. Its IUPAC name is N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)-3-methoxypyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)-3-methoxypyrazine-2-carboxamide
PubChem CID167450792
Molecular FormulaC23H24N4O5
Molecular Weight436.47 g/mol
Exact Mass436.17
IUPAC NameN-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)-3-methoxypyrazine-2-carboxamide
SMILESCCOc1ccc(-c2cnc(OC)c(C(=O)N/N=C/c3cc(OC)cc(OC)c3)n2)cc1
InChIInChI=1S/C23H24N4O5/c1-5-32-17-8-6-16(7-9-17)20-14-24-23(31-4)21(26-20)22(28)27-25-13-15-10-18(29-2)12-19(11-15)30-3/h6-14H,5H2,1-4H3,(H,27,28)/b25-13+
InChIKeyVCLLQOROXGQPQE-DHRITJCHSA-N
XLogP3.33
TPSA104.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 53.33
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

N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)pyrazine-2-carboxamide
CID 171771767
N-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)-4-fluoropyridine-2-carboxamide
CID 174239572
N-[(E)-[3-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]methylideneamino]-6-(4-ethoxyphenyl)pyrazine-2-carboxamide
CID 167450813
6-(4-butoxyphenyl)-N-[(3,5-dimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 175559912
5-chloro-N-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)pyrazine-2-carboxamide
CID 175559849
6-(4-ethoxyphenyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 171771765
6-(4-ethoxyphenyl)-N-[(4-fluoro-3,5-dimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 175559902
6-(4-butoxyphenyl)-N-[(3,5-dimethoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 174239575
6-[4-(cyclopropylmethoxy)phenyl]-N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 167450595
6-(3-chloro-4-ethoxyphenyl)-N-[(3,5-dimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 175559840
N-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-propylphenyl)pyrazine-2-carboxamide
CID 175559707
N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]methanamine;6-(4-ethoxyphenyl)pyrazine-2-carbaldehyde
CID 167450952

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)-3-methoxypyrazine-2-carboxamide?
The IUPAC name of N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)-3-methoxypyrazine-2-carboxamide (CID 167450792) is N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)-3-methoxypyrazine-2-carboxamide.
What is the SMILES notation for N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)-3-methoxypyrazine-2-carboxamide?
The canonical SMILES for N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)-3-methoxypyrazine-2-carboxamide is CCOc1ccc(-c2cnc(OC)c(C(=O)N/N=C/c3cc(OC)cc(OC)c3)n2)cc1.
What is the InChIKey of N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)-3-methoxypyrazine-2-carboxamide?
The InChIKey is VCLLQOROXGQPQE-DHRITJCHSA-N. The full InChI is InChI=1S/C23H24N4O5/c1-5-32-17-8-6-16(7-9-17)20-14-24-23(31-4)21(26-20)22(28)27-25-13-15-10-18(29-2)12-19(11-15)30-3/h6-14H,5H2,1-4H3,(H,27,28)/b25-13+.
What are the key properties of N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)-3-methoxypyrazine-2-carboxamide?
N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)-3-methoxypyrazine-2-carboxamide has a molecular weight of 436.47 g/mol, XLogP of 3.33, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)-3-methoxypyrazine-2-carboxamide is sourced from PubChem (CID 167450792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).