6-(4-methoxyphenyl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]pyrazine-2-carboxamide

C20H15F3N4O2 — CID 167450857

IUPAC6-(4-methoxyphenyl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]pyrazine-2-carboxamide
SMILESCOc1ccc(-c2cncc(C(=O)N/N=C/c3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C20H15F3N4O2/c1-29-16-8-4-14(5-9-16)17-11-24-12-18(26-17)19(28)27-25-10-13-2-6-15(7-3-13)20(21,22)23/h2-12H,1H3,(H,27,28)/b25-10+
InChIKeyJBRCKOZZODRNBO-KIBLKLHPSA-N
MW400.36 g/mol
LogP3.93
Rot. Bonds5

About 6-(4-methoxyphenyl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]pyrazine-2-carboxamide

6-(4-methoxyphenyl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]pyrazine-2-carboxamide (PubChem CID 167450857) has the molecular formula C20H15F3N4O2 and a molecular weight of 400.36 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]pyrazine-2-carboxamide
PubChem CID167450857
Molecular FormulaC20H15F3N4O2
Molecular Weight400.36 g/mol
Exact Mass400.11
IUPAC Name6-(4-methoxyphenyl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]pyrazine-2-carboxamide
SMILESCOc1ccc(-c2cncc(C(=O)N/N=C/c3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C20H15F3N4O2/c1-29-16-8-4-14(5-9-16)17-11-24-12-18(26-17)19(28)27-25-10-13-2-6-15(7-3-13)20(21,22)23/h2-12H,1H3,(H,27,28)/b25-10+
InChIKeyJBRCKOZZODRNBO-KIBLKLHPSA-N
XLogP3.93
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.36
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-(4-chlorophenyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 167450793
6-(4-methoxyphenyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 167450912
N-[(3-bromophenyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 175559898
N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)pyrazine-2-carboxamide
CID 171771767
6-(4-butoxyphenyl)-N-[(3,5-dimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 175559912
N-[(E)-(2-bromophenyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 167450631
N-[[4-(trifluoromethyl)phenyl]methylideneamino]pyrazine-2-carboxamide
CID 939997
N-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-propylphenyl)pyrazine-2-carboxamide
CID 175559707
6-(4-ethoxyphenyl)-N-[(4-fluoro-3,5-dimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 175559902
6-[4-(cyclopropylmethoxy)phenyl]-N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 167450595
6-(4-ethoxyphenyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 171771765
6-(4-ethoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methylideneamino]pyrazine-2-carboxamide
CID 175559978

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]pyrazine-2-carboxamide?
The IUPAC name of 6-(4-methoxyphenyl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]pyrazine-2-carboxamide (CID 167450857) is 6-(4-methoxyphenyl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]pyrazine-2-carboxamide.
What is the SMILES notation for 6-(4-methoxyphenyl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]pyrazine-2-carboxamide?
The canonical SMILES for 6-(4-methoxyphenyl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]pyrazine-2-carboxamide is COc1ccc(-c2cncc(C(=O)N/N=C/c3ccc(C(F)(F)F)cc3)n2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]pyrazine-2-carboxamide?
The InChIKey is JBRCKOZZODRNBO-KIBLKLHPSA-N. The full InChI is InChI=1S/C20H15F3N4O2/c1-29-16-8-4-14(5-9-16)17-11-24-12-18(26-17)19(28)27-25-10-13-2-6-15(7-3-13)20(21,22)23/h2-12H,1H3,(H,27,28)/b25-10+.
What are the key properties of 6-(4-methoxyphenyl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]pyrazine-2-carboxamide?
6-(4-methoxyphenyl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]pyrazine-2-carboxamide has a molecular weight of 400.36 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]pyrazine-2-carboxamide is sourced from PubChem (CID 167450857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).