N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide

C18H22N4O3 — CID 6498595

IUPACN-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide
SMILESCc1ccc(OCC(=O)NCCCNC(=O)c2cnccn2)cc1C
InChIInChI=1S/C18H22N4O3/c1-13-4-5-15(10-14(13)2)25-12-17(23)21-6-3-7-22-18(24)16-11-19-8-9-20-16/h4-5,8-11H,3,6-7,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyHLGHLAAXHFZMAE-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.41
Rot. Bonds8

About N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide

N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide (PubChem CID 6498595) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide
PubChem CID6498595
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide
SMILESCc1ccc(OCC(=O)NCCCNC(=O)c2cnccn2)cc1C
InChIInChI=1S/C18H22N4O3/c1-13-4-5-15(10-14(13)2)25-12-17(23)21-6-3-7-22-18(24)16-11-19-8-9-20-16/h4-5,8-11H,3,6-7,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyHLGHLAAXHFZMAE-UHFFFAOYSA-N
XLogP1.41
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.41
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-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide?
The IUPAC name of N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide (CID 6498595) is N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide is Cc1ccc(OCC(=O)NCCCNC(=O)c2cnccn2)cc1C.
What is the InChIKey of N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide?
The InChIKey is HLGHLAAXHFZMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-13-4-5-15(10-14(13)2)25-12-17(23)21-6-3-7-22-18(24)16-11-19-8-9-20-16/h4-5,8-11H,3,6-7,12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide?
N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.41, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 6498595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).