N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]pyrazine-2-carboxamide

C14H12Cl2N4O2 — CID 6498559

IUPACN-[2-[(2,5-dichlorobenzoyl)amino]ethyl]pyrazine-2-carboxamide
SMILESO=C(NCCNC(=O)c1cc(Cl)ccc1Cl)c1cnccn1
InChIInChI=1S/C14H12Cl2N4O2/c15-9-1-2-11(16)10(7-9)13(21)19-5-6-20-14(22)12-8-17-3-4-18-12/h1-4,7-8H,5-6H2,(H,19,21)(H,20,22)
InChIKeyOHJXKSXAUYVWRA-UHFFFAOYSA-N
MW339.18 g/mol
LogP1.94
Rot. Bonds5

About N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]pyrazine-2-carboxamide

N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]pyrazine-2-carboxamide (PubChem CID 6498559) has the molecular formula C14H12Cl2N4O2 and a molecular weight of 339.18 g/mol. Its IUPAC name is N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2,5-dichlorobenzoyl)amino]ethyl]pyrazine-2-carboxamide
PubChem CID6498559
Molecular FormulaC14H12Cl2N4O2
Molecular Weight339.18 g/mol
Exact Mass338.03
IUPAC NameN-[2-[(2,5-dichlorobenzoyl)amino]ethyl]pyrazine-2-carboxamide
SMILESO=C(NCCNC(=O)c1cc(Cl)ccc1Cl)c1cnccn1
InChIInChI=1S/C14H12Cl2N4O2/c15-9-1-2-11(16)10(7-9)13(21)19-5-6-20-14(22)12-8-17-3-4-18-12/h1-4,7-8H,5-6H2,(H,19,21)(H,20,22)
InChIKeyOHJXKSXAUYVWRA-UHFFFAOYSA-N
XLogP1.94
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]pyrazine-2-carboxamide (CID 6498559) is N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]pyrazine-2-carboxamide is O=C(NCCNC(=O)c1cc(Cl)ccc1Cl)c1cnccn1.
What is the InChIKey of N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]pyrazine-2-carboxamide?
The InChIKey is OHJXKSXAUYVWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N4O2/c15-9-1-2-11(16)10(7-9)13(21)19-5-6-20-14(22)12-8-17-3-4-18-12/h1-4,7-8H,5-6H2,(H,19,21)(H,20,22).
What are the key properties of N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]pyrazine-2-carboxamide?
N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]pyrazine-2-carboxamide has a molecular weight of 339.18 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 6498559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).