N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide

C16H18N4O3 — CID 6498568

IUPACN-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide
SMILESCc1ccc(OCC(=O)NCCNC(=O)c2cnccn2)cc1
InChIInChI=1S/C16H18N4O3/c1-12-2-4-13(5-3-12)23-11-15(21)19-8-9-20-16(22)14-10-17-6-7-18-14/h2-7,10H,8-9,11H2,1H3,(H,19,21)(H,20,22)
InChIKeySZJPIBLFVXYCCG-UHFFFAOYSA-N
MW314.35 g/mol
LogP0.71
Rot. Bonds7

About N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide

N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide (PubChem CID 6498568) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide
PubChem CID6498568
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC NameN-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide
SMILESCc1ccc(OCC(=O)NCCNC(=O)c2cnccn2)cc1
InChIInChI=1S/C16H18N4O3/c1-12-2-4-13(5-3-12)23-11-15(21)19-8-9-20-16(22)14-10-17-6-7-18-14/h2-7,10H,8-9,11H2,1H3,(H,19,21)(H,20,22)
InChIKeySZJPIBLFVXYCCG-UHFFFAOYSA-N
XLogP0.71
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(4-methylphenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide (CID 6498568) is N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide is Cc1ccc(OCC(=O)NCCNC(=O)c2cnccn2)cc1.
What is the InChIKey of N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide?
The InChIKey is SZJPIBLFVXYCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-12-2-4-13(5-3-12)23-11-15(21)19-8-9-20-16(22)14-10-17-6-7-18-14/h2-7,10H,8-9,11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide?
N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide has a molecular weight of 314.35 g/mol, XLogP of 0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 6498568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).