N-[(Z)-1-(2-chlorophenyl)ethylideneamino]pyrazine-2-carboxamide

C13H11ClN4O — CID 5422251

IUPACN-[(Z)-1-(2-chlorophenyl)ethylideneamino]pyrazine-2-carboxamide
SMILESC/C(=N/NC(=O)c1cnccn1)c1ccccc1Cl
InChIInChI=1S/C13H11ClN4O/c1-9(10-4-2-3-5-11(10)14)17-18-13(19)12-8-15-6-7-16-12/h2-8H,1H3,(H,18,19)/b17-9-
InChIKeyAPVNQBKLKJNILM-MFOYZWKCSA-N
MW274.71 g/mol
LogP2.28
Rot. Bonds3

About N-[(Z)-1-(2-chlorophenyl)ethylideneamino]pyrazine-2-carboxamide

N-[(Z)-1-(2-chlorophenyl)ethylideneamino]pyrazine-2-carboxamide (PubChem CID 5422251) has the molecular formula C13H11ClN4O and a molecular weight of 274.71 g/mol. Its IUPAC name is N-[(Z)-1-(2-chlorophenyl)ethylideneamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(2-chlorophenyl)ethylideneamino]pyrazine-2-carboxamide
PubChem CID5422251
Molecular FormulaC13H11ClN4O
Molecular Weight274.71 g/mol
Exact Mass274.06
IUPAC NameN-[(Z)-1-(2-chlorophenyl)ethylideneamino]pyrazine-2-carboxamide
SMILESC/C(=N/NC(=O)c1cnccn1)c1ccccc1Cl
InChIInChI=1S/C13H11ClN4O/c1-9(10-4-2-3-5-11(10)14)17-18-13(19)12-8-15-6-7-16-12/h2-8H,1H3,(H,18,19)/b17-9-
InChIKeyAPVNQBKLKJNILM-MFOYZWKCSA-N
XLogP2.28
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 52.28
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-hydroxyphenyl)ethylideneamino]pyrazine-2-carboxamide
CID 135656292
N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]pyrazine-2-carboxamide
CID 5402683
N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-2-carboxamide
CID 5402845
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]pyrazine-2-carboxamide
CID 135880330
N-[(E)-1-(4-aminophenyl)ethylideneamino]pyrazine-2-carboxamide
CID 139078457
2-amino-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]benzamide
CID 5332716
2-chloro-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135688203
N-[1-(2-chlorophenyl)ethylideneamino]-4-fluorobenzamide
CID 4123308
2-phenyl-2-(pyrazine-2-carbonylhydrazinylidene)acetic acid
CID 165352129
2-N,5-N-bis[(Z)-1-(2-hydroxyphenyl)ethylideneamino]pyridine-2,5-dicarboxamide
CID 135699182
N-[1-(4-nitrophenyl)ethylideneamino]pyrazine-2-carboxamide
CID 3836792
N-[(E)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]pyrazine-2-carboxamide
CID 96996113

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(2-chlorophenyl)ethylideneamino]pyrazine-2-carboxamide?
The IUPAC name of N-[(Z)-1-(2-chlorophenyl)ethylideneamino]pyrazine-2-carboxamide (CID 5422251) is N-[(Z)-1-(2-chlorophenyl)ethylideneamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(Z)-1-(2-chlorophenyl)ethylideneamino]pyrazine-2-carboxamide?
The canonical SMILES for N-[(Z)-1-(2-chlorophenyl)ethylideneamino]pyrazine-2-carboxamide is C/C(=N/NC(=O)c1cnccn1)c1ccccc1Cl.
What is the InChIKey of N-[(Z)-1-(2-chlorophenyl)ethylideneamino]pyrazine-2-carboxamide?
The InChIKey is APVNQBKLKJNILM-MFOYZWKCSA-N. The full InChI is InChI=1S/C13H11ClN4O/c1-9(10-4-2-3-5-11(10)14)17-18-13(19)12-8-15-6-7-16-12/h2-8H,1H3,(H,18,19)/b17-9-.
What are the key properties of N-[(Z)-1-(2-chlorophenyl)ethylideneamino]pyrazine-2-carboxamide?
N-[(Z)-1-(2-chlorophenyl)ethylideneamino]pyrazine-2-carboxamide has a molecular weight of 274.71 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(2-chlorophenyl)ethylideneamino]pyrazine-2-carboxamide is sourced from PubChem (CID 5422251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).