N-[(3,5-dimethoxyphenyl)methylideneamino]-6-[4-methoxy-2-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide

C22H19F3N4O5 — CID 174239640

IUPACN-[(3,5-dimethoxyphenyl)methylideneamino]-6-[4-methoxy-2-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide
SMILESCOc1cc(C=NNC(=O)c2cncc(-c3ccc(OC)cc3OC(F)(F)F)n2)cc(OC)c1
InChIInChI=1S/C22H19F3N4O5/c1-31-14-4-5-17(20(9-14)34-22(23,24)25)18-11-26-12-19(28-18)21(30)29-27-10-13-6-15(32-2)8-16(7-13)33-3/h4-12H,1-3H3,(H,29,30)
InChIKeyIXSNKWYCUMIINS-UHFFFAOYSA-N
MW476.41 g/mol
LogP3.83
Rot. Bonds8

About N-[(3,5-dimethoxyphenyl)methylideneamino]-6-[4-methoxy-2-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide

N-[(3,5-dimethoxyphenyl)methylideneamino]-6-[4-methoxy-2-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide (PubChem CID 174239640) has the molecular formula C22H19F3N4O5 and a molecular weight of 476.41 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methylideneamino]-6-[4-methoxy-2-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methylideneamino]-6-[4-methoxy-2-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide
PubChem CID174239640
Molecular FormulaC22H19F3N4O5
Molecular Weight476.41 g/mol
Exact Mass476.13
IUPAC NameN-[(3,5-dimethoxyphenyl)methylideneamino]-6-[4-methoxy-2-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide
SMILESCOc1cc(C=NNC(=O)c2cncc(-c3ccc(OC)cc3OC(F)(F)F)n2)cc(OC)c1
InChIInChI=1S/C22H19F3N4O5/c1-31-14-4-5-17(20(9-14)34-22(23,24)25)18-11-26-12-19(28-18)21(30)29-27-10-13-6-15(32-2)8-16(7-13)33-3/h4-12H,1-3H3,(H,29,30)
InChIKeyIXSNKWYCUMIINS-UHFFFAOYSA-N
XLogP3.83
TPSA104.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.41
LogP ≤ 53.83
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-methoxy-2-(trifluoromethoxy)phenyl]pyrazine-2-carbohydrazide
CID 167450736
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)-(3,5-dimethoxyphenyl)methylideneamino]-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
CID 167451113
N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)pyrazine-2-carboxamide
CID 171771767
6-(4-ethoxy-2-propan-2-yloxyphenyl)-N-[(E)-(3-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 167450587
6-(4-butoxyphenyl)-N-[(3,5-dimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 175559912
6-(4-methoxyphenyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 167450912
N-[(3,5-dimethoxyphenyl)methylideneamino]-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 174239479
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

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methylideneamino]-6-[4-methoxy-2-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methylideneamino]-6-[4-methoxy-2-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide (CID 174239640) is N-[(3,5-dimethoxyphenyl)methylideneamino]-6-[4-methoxy-2-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methylideneamino]-6-[4-methoxy-2-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methylideneamino]-6-[4-methoxy-2-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide is COc1cc(C=NNC(=O)c2cncc(-c3ccc(OC)cc3OC(F)(F)F)n2)cc(OC)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methylideneamino]-6-[4-methoxy-2-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide?
The InChIKey is IXSNKWYCUMIINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O5/c1-31-14-4-5-17(20(9-14)34-22(23,24)25)18-11-26-12-19(28-18)21(30)29-27-10-13-6-15(32-2)8-16(7-13)33-3/h4-12H,1-3H3,(H,29,30).
What are the key properties of N-[(3,5-dimethoxyphenyl)methylideneamino]-6-[4-methoxy-2-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide?
N-[(3,5-dimethoxyphenyl)methylideneamino]-6-[4-methoxy-2-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide has a molecular weight of 476.41 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)methylideneamino]-6-[4-methoxy-2-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 174239640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).