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

C19H15BrN4O2 — CID 167450631

IUPACN-[(E)-(2-bromophenyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide
SMILESCOc1ccc(-c2cncc(C(=O)N/N=C/c3ccccc3Br)n2)cc1
InChIInChI=1S/C19H15BrN4O2/c1-26-15-8-6-13(7-9-15)17-11-21-12-18(23-17)19(25)24-22-10-14-4-2-3-5-16(14)20/h2-12H,1H3,(H,24,25)/b22-10+
InChIKeyQUJPVMQGTDABGN-LSHDLFTRSA-N
MW411.26 g/mol
LogP3.68
Rot. Bonds5

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

N-[(E)-(2-bromophenyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide (PubChem CID 167450631) has the molecular formula C19H15BrN4O2 and a molecular weight of 411.26 g/mol. Its IUPAC name is N-[(E)-(2-bromophenyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-bromophenyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide
PubChem CID167450631
Molecular FormulaC19H15BrN4O2
Molecular Weight411.26 g/mol
Exact Mass410.04
IUPAC NameN-[(E)-(2-bromophenyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide
SMILESCOc1ccc(-c2cncc(C(=O)N/N=C/c3ccccc3Br)n2)cc1
InChIInChI=1S/C19H15BrN4O2/c1-26-15-8-6-13(7-9-15)17-11-21-12-18(23-17)19(25)24-22-10-14-4-2-3-5-16(14)20/h2-12H,1H3,(H,24,25)/b22-10+
InChIKeyQUJPVMQGTDABGN-LSHDLFTRSA-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-[(3-bromophenyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 175559898
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-[(2,5-dimethoxyphenyl)methylideneamino]-6-(4-ethoxyphenyl)pyrazine-2-carboxamide
CID 175559864
6-(4-methoxyphenyl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]pyrazine-2-carboxamide
CID 167450857
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
6-(4-ethoxyphenyl)-N-[(E)-(5-methoxy-1,3-benzoxazol-7-yl)methylideneamino]pyrazine-2-carboxamide
CID 167450671
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
N-[(2-bromophenyl)methylideneamino]-5-methyl-1,2-oxazole-3-carboxamide
CID 842250
N-[(E)-(4,4-difluorocyclohexyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 167450660

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-bromophenyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide?
The IUPAC name of N-[(E)-(2-bromophenyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide (CID 167450631) is N-[(E)-(2-bromophenyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[(E)-(2-bromophenyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide?
The canonical SMILES for N-[(E)-(2-bromophenyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide is COc1ccc(-c2cncc(C(=O)N/N=C/c3ccccc3Br)n2)cc1.
What is the InChIKey of N-[(E)-(2-bromophenyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide?
The InChIKey is QUJPVMQGTDABGN-LSHDLFTRSA-N. The full InChI is InChI=1S/C19H15BrN4O2/c1-26-15-8-6-13(7-9-15)17-11-21-12-18(23-17)19(25)24-22-10-14-4-2-3-5-16(14)20/h2-12H,1H3,(H,24,25)/b22-10+.
What are the key properties of N-[(E)-(2-bromophenyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide?
N-[(E)-(2-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-[(E)-(2-bromophenyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 167450631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).