N-[3-[(3,4-dichlorobenzoyl)amino]propyl]pyrazine-2-carboxamide

C15H14Cl2N4O2 — CID 6498588

IUPACN-[3-[(3,4-dichlorobenzoyl)amino]propyl]pyrazine-2-carboxamide
SMILESO=C(NCCCNC(=O)c1cnccn1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H14Cl2N4O2/c16-11-3-2-10(8-12(11)17)14(22)20-4-1-5-21-15(23)13-9-18-6-7-19-13/h2-3,6-9H,1,4-5H2,(H,20,22)(H,21,23)
InChIKeyORBKLFYLJOLYIO-UHFFFAOYSA-N
MW353.21 g/mol
LogP2.33
Rot. Bonds6

About N-[3-[(3,4-dichlorobenzoyl)amino]propyl]pyrazine-2-carboxamide

N-[3-[(3,4-dichlorobenzoyl)amino]propyl]pyrazine-2-carboxamide (PubChem CID 6498588) has the molecular formula C15H14Cl2N4O2 and a molecular weight of 353.21 g/mol. Its IUPAC name is N-[3-[(3,4-dichlorobenzoyl)amino]propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(3,4-dichlorobenzoyl)amino]propyl]pyrazine-2-carboxamide
PubChem CID6498588
Molecular FormulaC15H14Cl2N4O2
Molecular Weight353.21 g/mol
Exact Mass352.05
IUPAC NameN-[3-[(3,4-dichlorobenzoyl)amino]propyl]pyrazine-2-carboxamide
SMILESO=C(NCCCNC(=O)c1cnccn1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H14Cl2N4O2/c16-11-3-2-10(8-12(11)17)14(22)20-4-1-5-21-15(23)13-9-18-6-7-19-13/h2-3,6-9H,1,4-5H2,(H,20,22)(H,21,23)
InChIKeyORBKLFYLJOLYIO-UHFFFAOYSA-N
XLogP2.33
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 52.33
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-[3-[(3,4-dichlorobenzoyl)amino]propyl]pyrazine-2-carboxamide?
The IUPAC name of N-[3-[(3,4-dichlorobenzoyl)amino]propyl]pyrazine-2-carboxamide (CID 6498588) is N-[3-[(3,4-dichlorobenzoyl)amino]propyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-[(3,4-dichlorobenzoyl)amino]propyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[3-[(3,4-dichlorobenzoyl)amino]propyl]pyrazine-2-carboxamide is O=C(NCCCNC(=O)c1cnccn1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[3-[(3,4-dichlorobenzoyl)amino]propyl]pyrazine-2-carboxamide?
The InChIKey is ORBKLFYLJOLYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4O2/c16-11-3-2-10(8-12(11)17)14(22)20-4-1-5-21-15(23)13-9-18-6-7-19-13/h2-3,6-9H,1,4-5H2,(H,20,22)(H,21,23).
What are the key properties of N-[3-[(3,4-dichlorobenzoyl)amino]propyl]pyrazine-2-carboxamide?
N-[3-[(3,4-dichlorobenzoyl)amino]propyl]pyrazine-2-carboxamide has a molecular weight of 353.21 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3,4-dichlorobenzoyl)amino]propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 6498588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).