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

C22H22N4O5 — CID 167450912

IUPAC6-(4-methoxyphenyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
SMILESCOc1ccc(-c2cncc(C(=O)N/N=C/c3cc(OC)c(OC)c(OC)c3)n2)cc1
InChIInChI=1S/C22H22N4O5/c1-28-16-7-5-15(6-8-16)17-12-23-13-18(25-17)22(27)26-24-11-14-9-19(29-2)21(31-4)20(10-14)30-3/h5-13H,1-4H3,(H,26,27)/b24-11+
InChIKeyGPPCMIFMEXHPLC-BHGWPJFGSA-N
MW422.44 g/mol
LogP2.94
Rot. Bonds8

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

6-(4-methoxyphenyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide (PubChem CID 167450912) has the molecular formula C22H22N4O5 and a molecular weight of 422.44 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
PubChem CID167450912
Molecular FormulaC22H22N4O5
Molecular Weight422.44 g/mol
Exact Mass422.16
IUPAC Name6-(4-methoxyphenyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
SMILESCOc1ccc(-c2cncc(C(=O)N/N=C/c3cc(OC)c(OC)c(OC)c3)n2)cc1
InChIInChI=1S/C22H22N4O5/c1-28-16-7-5-15(6-8-16)17-12-23-13-18(25-17)22(27)26-24-11-14-9-19(29-2)21(31-4)20(10-14)30-3/h5-13H,1-4H3,(H,26,27)/b24-11+
InChIKeyGPPCMIFMEXHPLC-BHGWPJFGSA-N
XLogP2.94
TPSA104.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 52.94
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-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-[(E)-(4-chlorophenyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 167450793
N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)pyrazine-2-carboxamide
CID 171771767
N-[(3-bromophenyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 175559898
6-(4-butoxyphenyl)-N-[(3,5-dimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 175559912
6-(4-methoxyphenyl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]pyrazine-2-carboxamide
CID 167450857
N-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-propylphenyl)pyrazine-2-carboxamide
CID 175559707
6-[4-(cyclopropylmethoxy)phenyl]-N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 167450595
N-[(3,4,5-trimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 847629
N-[(2,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)pyrazine-2-carboxamide
CID 175559864
N-[(E)-(2-bromophenyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 167450631

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide?
The IUPAC name of 6-(4-methoxyphenyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide (CID 167450912) is 6-(4-methoxyphenyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide.
What is the SMILES notation for 6-(4-methoxyphenyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide?
The canonical SMILES for 6-(4-methoxyphenyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide is COc1ccc(-c2cncc(C(=O)N/N=C/c3cc(OC)c(OC)c(OC)c3)n2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide?
The InChIKey is GPPCMIFMEXHPLC-BHGWPJFGSA-N. The full InChI is InChI=1S/C22H22N4O5/c1-28-16-7-5-15(6-8-16)17-12-23-13-18(25-17)22(27)26-24-11-14-9-19(29-2)21(31-4)20(10-14)30-3/h5-13H,1-4H3,(H,26,27)/b24-11+.
What are the key properties of 6-(4-methoxyphenyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide?
6-(4-methoxyphenyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide has a molecular weight of 422.44 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide is sourced from PubChem (CID 167450912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).