N-[(E)-1-(3-bromophenyl)ethylideneamino]pyrazine-2-carboxamide

C13H11BrN4O — CID 7420745

IUPACN-[(E)-1-(3-bromophenyl)ethylideneamino]pyrazine-2-carboxamide
SMILESC/C(=N\NC(=O)c1cnccn1)c1cccc(Br)c1
InChIInChI=1S/C13H11BrN4O/c1-9(10-3-2-4-11(14)7-10)17-18-13(19)12-8-15-5-6-16-12/h2-8H,1H3,(H,18,19)/b17-9+
InChIKeySRYUPEIJTLBQDN-RQZCQDPDSA-N
MW319.16 g/mol
LogP2.39
Rot. Bonds3

About N-[(E)-1-(3-bromophenyl)ethylideneamino]pyrazine-2-carboxamide

N-[(E)-1-(3-bromophenyl)ethylideneamino]pyrazine-2-carboxamide (PubChem CID 7420745) has the molecular formula C13H11BrN4O and a molecular weight of 319.16 g/mol. Its IUPAC name is N-[(E)-1-(3-bromophenyl)ethylideneamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(3-bromophenyl)ethylideneamino]pyrazine-2-carboxamide
PubChem CID7420745
Molecular FormulaC13H11BrN4O
Molecular Weight319.16 g/mol
Exact Mass318.01
IUPAC NameN-[(E)-1-(3-bromophenyl)ethylideneamino]pyrazine-2-carboxamide
SMILESC/C(=N\NC(=O)c1cnccn1)c1cccc(Br)c1
InChIInChI=1S/C13H11BrN4O/c1-9(10-3-2-4-11(14)7-10)17-18-13(19)12-8-15-5-6-16-12/h2-8H,1H3,(H,18,19)/b17-9+
InChIKeySRYUPEIJTLBQDN-RQZCQDPDSA-N
XLogP2.39
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(3-bromophenyl)ethylideneamino]pyrazine-2-carboxamide?
The IUPAC name of N-[(E)-1-(3-bromophenyl)ethylideneamino]pyrazine-2-carboxamide (CID 7420745) is N-[(E)-1-(3-bromophenyl)ethylideneamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(E)-1-(3-bromophenyl)ethylideneamino]pyrazine-2-carboxamide?
The canonical SMILES for N-[(E)-1-(3-bromophenyl)ethylideneamino]pyrazine-2-carboxamide is C/C(=N\NC(=O)c1cnccn1)c1cccc(Br)c1.
What is the InChIKey of N-[(E)-1-(3-bromophenyl)ethylideneamino]pyrazine-2-carboxamide?
The InChIKey is SRYUPEIJTLBQDN-RQZCQDPDSA-N. The full InChI is InChI=1S/C13H11BrN4O/c1-9(10-3-2-4-11(14)7-10)17-18-13(19)12-8-15-5-6-16-12/h2-8H,1H3,(H,18,19)/b17-9+.
What are the key properties of N-[(E)-1-(3-bromophenyl)ethylideneamino]pyrazine-2-carboxamide?
N-[(E)-1-(3-bromophenyl)ethylideneamino]pyrazine-2-carboxamide has a molecular weight of 319.16 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(3-bromophenyl)ethylideneamino]pyrazine-2-carboxamide is sourced from PubChem (CID 7420745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).