N-[2-[(2-methylbenzoyl)amino]ethyl]pyrazine-2-carboxamide

C15H16N4O2 — CID 6498552

IUPACN-[2-[(2-methylbenzoyl)amino]ethyl]pyrazine-2-carboxamide
SMILESCc1ccccc1C(=O)NCCNC(=O)c1cnccn1
InChIInChI=1S/C15H16N4O2/c1-11-4-2-3-5-12(11)14(20)18-8-9-19-15(21)13-10-16-6-7-17-13/h2-7,10H,8-9H2,1H3,(H,18,20)(H,19,21)
InChIKeySOESLNITWHLUBY-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.94
Rot. Bonds5

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

N-[2-[(2-methylbenzoyl)amino]ethyl]pyrazine-2-carboxamide (PubChem CID 6498552) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-[2-[(2-methylbenzoyl)amino]ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-methylbenzoyl)amino]ethyl]pyrazine-2-carboxamide
PubChem CID6498552
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC NameN-[2-[(2-methylbenzoyl)amino]ethyl]pyrazine-2-carboxamide
SMILESCc1ccccc1C(=O)NCCNC(=O)c1cnccn1
InChIInChI=1S/C15H16N4O2/c1-11-4-2-3-5-12(11)14(20)18-8-9-19-15(21)13-10-16-6-7-17-13/h2-7,10H,8-9H2,1H3,(H,18,20)(H,19,21)
InChIKeySOESLNITWHLUBY-UHFFFAOYSA-N
XLogP0.94
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.94
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-methylbenzoyl)amino]ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-[(2-methylbenzoyl)amino]ethyl]pyrazine-2-carboxamide (CID 6498552) is N-[2-[(2-methylbenzoyl)amino]ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[(2-methylbenzoyl)amino]ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-[(2-methylbenzoyl)amino]ethyl]pyrazine-2-carboxamide is Cc1ccccc1C(=O)NCCNC(=O)c1cnccn1.
What is the InChIKey of N-[2-[(2-methylbenzoyl)amino]ethyl]pyrazine-2-carboxamide?
The InChIKey is SOESLNITWHLUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-11-4-2-3-5-12(11)14(20)18-8-9-19-15(21)13-10-16-6-7-17-13/h2-7,10H,8-9H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-[(2-methylbenzoyl)amino]ethyl]pyrazine-2-carboxamide?
N-[2-[(2-methylbenzoyl)amino]ethyl]pyrazine-2-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methylbenzoyl)amino]ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 6498552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).