N-[(3-bromophenyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide

C19H15BrN4O2 — CID 175559898

IUPACN-[(3-bromophenyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide
SMILESCOc1ccc(-c2cncc(C(=O)NN=Cc3cccc(Br)c3)n2)cc1
InChIInChI=1S/C19H15BrN4O2/c1-26-16-7-5-14(6-8-16)17-11-21-12-18(23-17)19(25)24-22-10-13-3-2-4-15(20)9-13/h2-12H,1H3,(H,24,25)
InChIKeyXUOHZPSNJSTRKI-UHFFFAOYSA-N
MW411.26 g/mol
LogP3.68
Rot. Bonds5

About N-[(3-bromophenyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide

N-[(3-bromophenyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide (PubChem CID 175559898) has the molecular formula C19H15BrN4O2 and a molecular weight of 411.26 g/mol. Its IUPAC name is N-[(3-bromophenyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide
PubChem CID175559898
Molecular FormulaC19H15BrN4O2
Molecular Weight411.26 g/mol
Exact Mass410.04
IUPAC NameN-[(3-bromophenyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide
SMILESCOc1ccc(-c2cncc(C(=O)NN=Cc3cccc(Br)c3)n2)cc1
InChIInChI=1S/C19H15BrN4O2/c1-26-16-7-5-14(6-8-16)17-11-21-12-18(23-17)19(25)24-22-10-13-3-2-4-15(20)9-13/h2-12H,1H3,(H,24,25)
InChIKeyXUOHZPSNJSTRKI-UHFFFAOYSA-N
XLogP3.68
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.26
LogP ≤ 53.68
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)-(2-bromophenyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 167450631
6-(4-methoxyphenyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 167450912
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
6-(4-methoxyphenyl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]pyrazine-2-carboxamide
CID 167450857
6-(4-butoxyphenyl)-N-[(3,5-dimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 175559912
N-[(3,5-dimethoxyphenyl)methylideneamino]-6-(4-propylphenyl)pyrazine-2-carboxamide
CID 175559707
6-(4-ethoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methylideneamino]pyrazine-2-carboxamide
CID 175559978
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-[(4-fluoro-3,5-dimethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 175559902
N-[(2,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)pyrazine-2-carboxamide
CID 175559864

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide?
The IUPAC name of N-[(3-bromophenyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide (CID 175559898) is N-[(3-bromophenyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[(3-bromophenyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide?
The canonical SMILES for N-[(3-bromophenyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide is COc1ccc(-c2cncc(C(=O)NN=Cc3cccc(Br)c3)n2)cc1.
What is the InChIKey of N-[(3-bromophenyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide?
The InChIKey is XUOHZPSNJSTRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN4O2/c1-26-16-7-5-14(6-8-16)17-11-21-12-18(23-17)19(25)24-22-10-13-3-2-4-15(20)9-13/h2-12H,1H3,(H,24,25).
What are the key properties of N-[(3-bromophenyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide?
N-[(3-bromophenyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide has a molecular weight of 411.26 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 175559898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).