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

C17H20N4O3 — CID 6498593

IUPACN-[3-[[2-(3-methylphenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide
SMILESCc1cccc(OCC(=O)NCCCNC(=O)c2cnccn2)c1
InChIInChI=1S/C17H20N4O3/c1-13-4-2-5-14(10-13)24-12-16(22)20-6-3-7-21-17(23)15-11-18-8-9-19-15/h2,4-5,8-11H,3,6-7,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyIDRIGAAFDJBGHM-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.10
Rot. Bonds8

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

N-[3-[[2-(3-methylphenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide (PubChem CID 6498593) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[3-[[2-(3-methylphenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(3-methylphenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide
PubChem CID6498593
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC NameN-[3-[[2-(3-methylphenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide
SMILESCc1cccc(OCC(=O)NCCCNC(=O)c2cnccn2)c1
InChIInChI=1S/C17H20N4O3/c1-13-4-2-5-14(10-13)24-12-16(22)20-6-3-7-21-17(23)15-11-18-8-9-19-15/h2,4-5,8-11H,3,6-7,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyIDRIGAAFDJBGHM-UHFFFAOYSA-N
XLogP1.10
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.10
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
CID 10452732
N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 470910
4-((5-(2-Fluoro-4-methylphenoxy)pyrazin-2-YL)methyl)-N-methylmorpholine-2-carboxamide, (2S)-
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-[3-[[2-(3-methylphenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide?
The IUPAC name of N-[3-[[2-(3-methylphenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide (CID 6498593) is N-[3-[[2-(3-methylphenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-[[2-(3-methylphenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[3-[[2-(3-methylphenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide is Cc1cccc(OCC(=O)NCCCNC(=O)c2cnccn2)c1.
What is the InChIKey of N-[3-[[2-(3-methylphenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide?
The InChIKey is IDRIGAAFDJBGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-13-4-2-5-14(10-13)24-12-16(22)20-6-3-7-21-17(23)15-11-18-8-9-19-15/h2,4-5,8-11H,3,6-7,12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[3-[[2-(3-methylphenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide?
N-[3-[[2-(3-methylphenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 1.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(3-methylphenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 6498593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).