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

C16H18N4O2 — CID 6498580

IUPACN-[3-[(2-methylbenzoyl)amino]propyl]pyrazine-2-carboxamide
SMILESCc1ccccc1C(=O)NCCCNC(=O)c1cnccn1
InChIInChI=1S/C16H18N4O2/c1-12-5-2-3-6-13(12)15(21)19-7-4-8-20-16(22)14-11-17-9-10-18-14/h2-3,5-6,9-11H,4,7-8H2,1H3,(H,19,21)(H,20,22)
InChIKeyCEBFZBOLWGVYGA-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.33
Rot. Bonds6

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

N-[3-[(2-methylbenzoyl)amino]propyl]pyrazine-2-carboxamide (PubChem CID 6498580) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-[3-[(2-methylbenzoyl)amino]propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-methylbenzoyl)amino]propyl]pyrazine-2-carboxamide
PubChem CID6498580
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-[3-[(2-methylbenzoyl)amino]propyl]pyrazine-2-carboxamide
SMILESCc1ccccc1C(=O)NCCCNC(=O)c1cnccn1
InChIInChI=1S/C16H18N4O2/c1-12-5-2-3-6-13(12)15(21)19-7-4-8-20-16(22)14-11-17-9-10-18-14/h2-3,5-6,9-11H,4,7-8H2,1H3,(H,19,21)(H,20,22)
InChIKeyCEBFZBOLWGVYGA-UHFFFAOYSA-N
XLogP1.33
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.33
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-[(2-methylbenzoyl)amino]propyl]pyrazine-2-carboxamide?
The IUPAC name of N-[3-[(2-methylbenzoyl)amino]propyl]pyrazine-2-carboxamide (CID 6498580) is N-[3-[(2-methylbenzoyl)amino]propyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-[(2-methylbenzoyl)amino]propyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[3-[(2-methylbenzoyl)amino]propyl]pyrazine-2-carboxamide is Cc1ccccc1C(=O)NCCCNC(=O)c1cnccn1.
What is the InChIKey of N-[3-[(2-methylbenzoyl)amino]propyl]pyrazine-2-carboxamide?
The InChIKey is CEBFZBOLWGVYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-12-5-2-3-6-13(12)15(21)19-7-4-8-20-16(22)14-11-17-9-10-18-14/h2-3,5-6,9-11H,4,7-8H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[3-[(2-methylbenzoyl)amino]propyl]pyrazine-2-carboxamide?
N-[3-[(2-methylbenzoyl)amino]propyl]pyrazine-2-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methylbenzoyl)amino]propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 6498580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).