N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]pyrazine-2-carboxamide

C13H10Cl2N4O — CID 5402683

IUPACN-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]pyrazine-2-carboxamide
SMILESC/C(=N\NC(=O)c1cnccn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H10Cl2N4O/c1-8(10-3-2-9(14)6-11(10)15)18-19-13(20)12-7-16-4-5-17-12/h2-7H,1H3,(H,19,20)/b18-8+
InChIKeySXOBWPRWSZVWGQ-QGMBQPNBSA-N
MW309.16 g/mol
LogP2.94
Rot. Bonds3

About N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]pyrazine-2-carboxamide

N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]pyrazine-2-carboxamide (PubChem CID 5402683) has the molecular formula C13H10Cl2N4O and a molecular weight of 309.16 g/mol. Its IUPAC name is N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]pyrazine-2-carboxamide
PubChem CID5402683
Molecular FormulaC13H10Cl2N4O
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC NameN-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]pyrazine-2-carboxamide
SMILESC/C(=N\NC(=O)c1cnccn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H10Cl2N4O/c1-8(10-3-2-9(14)6-11(10)15)18-19-13(20)12-7-16-4-5-17-12/h2-7H,1H3,(H,19,20)/b18-8+
InChIKeySXOBWPRWSZVWGQ-QGMBQPNBSA-N
XLogP2.94
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 52.94
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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Related Compounds

N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-2-carboxamide
CID 5402845
N-[(Z)-1-(2-chlorophenyl)ethylideneamino]pyrazine-2-carboxamide
CID 5422251
N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-4-carboxamide
CID 6941499
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]pyrazine-2-carboxamide
CID 135656292
4-amino-N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]benzamide
CID 7955460
N-[1-(2,4-dichlorophenyl)ethylideneamino]-2,4-dihydroxybenzamide
CID 3626855
N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]pyridine-3-carboxamide
CID 6216886
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]pyrazine-2-carboxamide
CID 135880330
2,4-dichloro-N-[1-(4-chlorophenyl)ethylideneamino]benzamide
CID 904479
N-[(E)-1-(4-aminophenyl)ethylideneamino]pyrazine-2-carboxamide
CID 139078457
N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]-2-methylfuran-3-carboxamide
CID 7289797
2,4-dichloro-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzamide
CID 135688205

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]pyrazine-2-carboxamide?
The IUPAC name of N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]pyrazine-2-carboxamide (CID 5402683) is N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]pyrazine-2-carboxamide?
The canonical SMILES for N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]pyrazine-2-carboxamide is C/C(=N\NC(=O)c1cnccn1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]pyrazine-2-carboxamide?
The InChIKey is SXOBWPRWSZVWGQ-QGMBQPNBSA-N. The full InChI is InChI=1S/C13H10Cl2N4O/c1-8(10-3-2-9(14)6-11(10)15)18-19-13(20)12-7-16-4-5-17-12/h2-7H,1H3,(H,19,20)/b18-8+.
What are the key properties of N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]pyrazine-2-carboxamide?
N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]pyrazine-2-carboxamide has a molecular weight of 309.16 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]pyrazine-2-carboxamide is sourced from PubChem (CID 5402683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).