N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide

C16H18N4O3 — CID 6498567

IUPACN-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide
SMILESCc1cccc(OCC(=O)NCCNC(=O)c2cnccn2)c1
InChIInChI=1S/C16H18N4O3/c1-12-3-2-4-13(9-12)23-11-15(21)19-7-8-20-16(22)14-10-17-5-6-18-14/h2-6,9-10H,7-8,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyIPKKAOPIBLKBQN-UHFFFAOYSA-N
MW314.35 g/mol
LogP0.71
Rot. Bonds7

About N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide

N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide (PubChem CID 6498567) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide
PubChem CID6498567
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC NameN-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide
SMILESCc1cccc(OCC(=O)NCCNC(=O)c2cnccn2)c1
InChIInChI=1S/C16H18N4O3/c1-12-3-2-4-13(9-12)23-11-15(21)19-7-8-20-16(22)14-10-17-5-6-18-14/h2-6,9-10H,7-8,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyIPKKAOPIBLKBQN-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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Related Compounds

Gsk-207040
CID 10473209
Bevenopran
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N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
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CID 146526316
N-(2-ethoxyphenyl)pyrazine-2-carboxamide
CID 862099
N'-[1-oxo-2-(4-propan-2-ylphenoxy)ethyl]-2-pyrazinecarbohydrazide
CID 934383
N-[2-(2-m-Tolyloxy-acetylamino)-ethyl]-isonicotinamide
CID 2985154
Pyridine-2-carboxylic acid [2-(2-o-tolyloxy-acetylamino)-ethyl]-amide
CID 2989437
2-(4-methylphenoxy)-N-[2-(2-pyridylcarbonylamino)ethyl]acetamide
CID 2990967
N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]pyridine-2-carboxamide
CID 2991309
2-(2-methylphenoxy)-N-[3-(2-pyridylcarbonylamino)propyl]acetamide
CID 2992308
Pyridine-2-carboxylic acid [3-(2-m-tolyloxy-acetylamino)-propyl]-amide
CID 6456985

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide (CID 6498567) is N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide is Cc1cccc(OCC(=O)NCCNC(=O)c2cnccn2)c1.
What is the InChIKey of N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide?
The InChIKey is IPKKAOPIBLKBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-12-3-2-4-13(9-12)23-11-15(21)19-7-8-20-16(22)14-10-17-5-6-18-14/h2-6,9-10H,7-8,11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide?
N-[2-[[2-(3-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-(3-methylphenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 6498567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).