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

C22H21ClN4O4 — CID 175559849

IUPAC5-chloro-N-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)pyrazine-2-carboxamide
SMILESCCOc1ccc(-c2nc(C(=O)NN=Cc3cc(OC)cc(OC)c3)cnc2Cl)cc1
InChIInChI=1S/C22H21ClN4O4/c1-4-31-16-7-5-15(6-8-16)20-21(23)24-13-19(26-20)22(28)27-25-12-14-9-17(29-2)11-18(10-14)30-3/h5-13H,4H2,1-3H3,(H,27,28)
InChIKeyBUBZJYDHPAHTKF-UHFFFAOYSA-N
MW440.89 g/mol
LogP3.98
Rot. Bonds8

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

5-chloro-N-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)pyrazine-2-carboxamide (PubChem CID 175559849) has the molecular formula C22H21ClN4O4 and a molecular weight of 440.89 g/mol. Its IUPAC name is 5-chloro-N-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)pyrazine-2-carboxamide
PubChem CID175559849
Molecular FormulaC22H21ClN4O4
Molecular Weight440.89 g/mol
Exact Mass440.13
IUPAC Name5-chloro-N-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)pyrazine-2-carboxamide
SMILESCCOc1ccc(-c2nc(C(=O)NN=Cc3cc(OC)cc(OC)c3)cnc2Cl)cc1
InChIInChI=1S/C22H21ClN4O4/c1-4-31-16-7-5-15(6-8-16)20-21(23)24-13-19(26-20)22(28)27-25-12-14-9-17(29-2)11-18(10-14)30-3/h5-13H,4H2,1-3H3,(H,27,28)
InChIKeyBUBZJYDHPAHTKF-UHFFFAOYSA-N
XLogP3.98
TPSA94.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.89
LogP ≤ 53.98
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'}

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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-(3-chloro-4-ethoxyphenyl)-N-[(3,5-dimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 175559840
N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)-3-methoxypyrazine-2-carboxamide
CID 167450792
6-(4-butoxyphenyl)-N-[(3,5-dimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 175559912
6-(4-butoxyphenyl)-N-[(3,5-dimethoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 174239575
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-(cyclopropylmethoxy)phenyl]-N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 167450595
6-(4-chlorophenyl)-N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 167451022
N-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-propylphenyl)pyrazine-2-carboxamide
CID 175559707

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)pyrazine-2-carboxamide (CID 175559849) is 5-chloro-N-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)pyrazine-2-carboxamide is CCOc1ccc(-c2nc(C(=O)NN=Cc3cc(OC)cc(OC)c3)cnc2Cl)cc1.
What is the InChIKey of 5-chloro-N-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)pyrazine-2-carboxamide?
The InChIKey is BUBZJYDHPAHTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O4/c1-4-31-16-7-5-15(6-8-16)20-21(23)24-13-19(26-20)22(28)27-25-12-14-9-17(29-2)11-18(10-14)30-3/h5-13H,4H2,1-3H3,(H,27,28).
What are the key properties of 5-chloro-N-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)pyrazine-2-carboxamide?
5-chloro-N-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)pyrazine-2-carboxamide has a molecular weight of 440.89 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 175559849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).