N-[3-[(2-chlorobenzoyl)amino]propyl]pyrazine-2-carboxamide

C15H15ClN4O2 — CID 6498607

IUPACN-[3-[(2-chlorobenzoyl)amino]propyl]pyrazine-2-carboxamide
SMILESO=C(NCCCNC(=O)c1ccccc1Cl)c1cnccn1
InChIInChI=1S/C15H15ClN4O2/c16-12-5-2-1-4-11(12)14(21)19-6-3-7-20-15(22)13-10-17-8-9-18-13/h1-2,4-5,8-10H,3,6-7H2,(H,19,21)(H,20,22)
InChIKeySYZSAYABFOLCPH-UHFFFAOYSA-N
MW318.76 g/mol
LogP1.68
Rot. Bonds6

About N-[3-[(2-chlorobenzoyl)amino]propyl]pyrazine-2-carboxamide

N-[3-[(2-chlorobenzoyl)amino]propyl]pyrazine-2-carboxamide (PubChem CID 6498607) has the molecular formula C15H15ClN4O2 and a molecular weight of 318.76 g/mol. Its IUPAC name is N-[3-[(2-chlorobenzoyl)amino]propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-chlorobenzoyl)amino]propyl]pyrazine-2-carboxamide
PubChem CID6498607
Molecular FormulaC15H15ClN4O2
Molecular Weight318.76 g/mol
Exact Mass318.09
IUPAC NameN-[3-[(2-chlorobenzoyl)amino]propyl]pyrazine-2-carboxamide
SMILESO=C(NCCCNC(=O)c1ccccc1Cl)c1cnccn1
InChIInChI=1S/C15H15ClN4O2/c16-12-5-2-1-4-11(12)14(21)19-6-3-7-20-15(22)13-10-17-8-9-18-13/h1-2,4-5,8-10H,3,6-7H2,(H,19,21)(H,20,22)
InChIKeySYZSAYABFOLCPH-UHFFFAOYSA-N
XLogP1.68
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 51.68
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-[(2-chlorobenzoyl)amino]propyl]pyrazine-2-carboxamide?
The IUPAC name of N-[3-[(2-chlorobenzoyl)amino]propyl]pyrazine-2-carboxamide (CID 6498607) is N-[3-[(2-chlorobenzoyl)amino]propyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-[(2-chlorobenzoyl)amino]propyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[3-[(2-chlorobenzoyl)amino]propyl]pyrazine-2-carboxamide is O=C(NCCCNC(=O)c1ccccc1Cl)c1cnccn1.
What is the InChIKey of N-[3-[(2-chlorobenzoyl)amino]propyl]pyrazine-2-carboxamide?
The InChIKey is SYZSAYABFOLCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O2/c16-12-5-2-1-4-11(12)14(21)19-6-3-7-20-15(22)13-10-17-8-9-18-13/h1-2,4-5,8-10H,3,6-7H2,(H,19,21)(H,20,22).
What are the key properties of N-[3-[(2-chlorobenzoyl)amino]propyl]pyrazine-2-carboxamide?
N-[3-[(2-chlorobenzoyl)amino]propyl]pyrazine-2-carboxamide has a molecular weight of 318.76 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-chlorobenzoyl)amino]propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 6498607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).