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

C23H24N4O3 — CID 175559707

IUPACN-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-propylphenyl)pyrazine-2-carboxamide
SMILESCCCc1ccc(-c2cncc(C(=O)NN=Cc3cc(OC)cc(OC)c3)n2)cc1
InChIInChI=1S/C23H24N4O3/c1-4-5-16-6-8-18(9-7-16)21-14-24-15-22(26-21)23(28)27-25-13-17-10-19(29-2)12-20(11-17)30-3/h6-15H,4-5H2,1-3H3,(H,27,28)
InChIKeyGGBKJFPWUXLSKF-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.88
Rot. Bonds8

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

N-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-propylphenyl)pyrazine-2-carboxamide (PubChem CID 175559707) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-propylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-propylphenyl)pyrazine-2-carboxamide
PubChem CID175559707
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-propylphenyl)pyrazine-2-carboxamide
SMILESCCCc1ccc(-c2cncc(C(=O)NN=Cc3cc(OC)cc(OC)c3)n2)cc1
InChIInChI=1S/C23H24N4O3/c1-4-5-16-6-8-18(9-7-16)21-14-24-15-22(26-21)23(28)27-25-13-17-10-19(29-2)12-20(11-17)30-3/h6-15H,4-5H2,1-3H3,(H,27,28)
InChIKeyGGBKJFPWUXLSKF-UHFFFAOYSA-N
XLogP3.88
TPSA85.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-butoxyphenyl)-N-[(3,5-dimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 175559912
N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)pyrazine-2-carboxamide
CID 171771767
6-[4-(cyclopropylmethoxy)phenyl]-N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 167450595
6-(3-chloro-4-ethoxyphenyl)-N-[(3,5-dimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 175559840
6-(4-methoxyphenyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 167450912
N-[(E)-[3-[2-(dimethylamino)ethoxy]-5-methoxyphenyl]methylideneamino]-6-(4-ethoxyphenyl)pyrazine-2-carboxamide
CID 167450813
N-[(E)-(4-chlorophenyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 167450793
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-bromophenyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 175559898
6-(4-butoxyphenyl)-N-[(3,5-dimethoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 174239575
N-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)-4-fluoropyridine-2-carboxamide
CID 174239572

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-propylphenyl)pyrazine-2-carboxamide?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-propylphenyl)pyrazine-2-carboxamide (CID 175559707) is N-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-propylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-propylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-propylphenyl)pyrazine-2-carboxamide is CCCc1ccc(-c2cncc(C(=O)NN=Cc3cc(OC)cc(OC)c3)n2)cc1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-propylphenyl)pyrazine-2-carboxamide?
The InChIKey is GGBKJFPWUXLSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-4-5-16-6-8-18(9-7-16)21-14-24-15-22(26-21)23(28)27-25-13-17-10-19(29-2)12-20(11-17)30-3/h6-15H,4-5H2,1-3H3,(H,27,28).
What are the key properties of N-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-propylphenyl)pyrazine-2-carboxamide?
N-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-propylphenyl)pyrazine-2-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-propylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 175559707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).