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

C22H22N4O4 — CID 171771767

IUPACN-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)pyrazine-2-carboxamide
SMILESCCOc1ccc(-c2cncc(C(=O)N/N=C/c3cc(OC)cc(OC)c3)n2)cc1
InChIInChI=1S/C22H22N4O4/c1-4-30-17-7-5-16(6-8-17)20-13-23-14-21(25-20)22(27)26-24-12-15-9-18(28-2)11-19(10-15)29-3/h5-14H,4H2,1-3H3,(H,26,27)/b24-12+
InChIKeyYFLRARPBRFARON-WYMPLXKRSA-N
MW406.44 g/mol
LogP3.32
Rot. Bonds8

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

N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)pyrazine-2-carboxamide (PubChem CID 171771767) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)pyrazine-2-carboxamide
PubChem CID171771767
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC NameN-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)pyrazine-2-carboxamide
SMILESCCOc1ccc(-c2cncc(C(=O)N/N=C/c3cc(OC)cc(OC)c3)n2)cc1
InChIInChI=1S/C22H22N4O4/c1-4-30-17-7-5-16(6-8-17)20-13-23-14-21(25-20)22(27)26-24-12-15-9-18(28-2)11-19(10-15)29-3/h5-14H,4H2,1-3H3,(H,26,27)/b24-12+
InChIKeyYFLRARPBRFARON-WYMPLXKRSA-N
XLogP3.32
TPSA94.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 53.32
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'}

Analyze N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-butoxyphenyl)-N-[(3,5-dimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 175559912
N-[(E)-[3-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]methylideneamino]-6-(4-ethoxyphenyl)pyrazine-2-carboxamide
CID 167450813
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
N-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)-4-fluoropyridine-2-carboxamide
CID 174239572
6-[4-(cyclopropylmethoxy)phenyl]-N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 167450595
N-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-propylphenyl)pyrazine-2-carboxamide
CID 175559707
6-(3-chloro-4-ethoxyphenyl)-N-[(3,5-dimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 175559840
6-(4-ethoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methylideneamino]pyrazine-2-carboxamide
CID 175559978
N-[(2,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)pyrazine-2-carboxamide
CID 175559864
N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)-3-methoxypyrazine-2-carboxamide
CID 167450792
5-chloro-N-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)pyrazine-2-carboxamide
CID 175559849

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)pyrazine-2-carboxamide?
The IUPAC name of N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)pyrazine-2-carboxamide (CID 171771767) is N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)pyrazine-2-carboxamide?
The canonical SMILES for N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)pyrazine-2-carboxamide is CCOc1ccc(-c2cncc(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)pyrazine-2-carboxamide?
The InChIKey is YFLRARPBRFARON-WYMPLXKRSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-4-30-17-7-5-16(6-8-17)20-13-23-14-21(25-20)22(27)26-24-12-15-9-18(28-2)11-19(10-15)29-3/h5-14H,4H2,1-3H3,(H,26,27)/b24-12+.
What are the key properties of N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)pyrazine-2-carboxamide?
N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)pyrazine-2-carboxamide has a molecular weight of 406.44 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 171771767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).