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

C16H18N4O3 — CID 8990873

IUPACN-[3-[(2-phenoxyacetyl)amino]propyl]pyrazine-2-carboxamide
SMILESO=C(COc1ccccc1)NCCCNC(=O)c1cnccn1
InChIInChI=1S/C16H18N4O3/c21-15(12-23-13-5-2-1-3-6-13)19-7-4-8-20-16(22)14-11-17-9-10-18-14/h1-3,5-6,9-11H,4,7-8,12H2,(H,19,21)(H,20,22)
InChIKeyYGHRNHCKJOBLDK-UHFFFAOYSA-N
MW314.34 g/mol
LogP0.79
Rot. Bonds8

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

N-[3-[(2-phenoxyacetyl)amino]propyl]pyrazine-2-carboxamide (PubChem CID 8990873) has the molecular formula C16H18N4O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-[3-[(2-phenoxyacetyl)amino]propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-phenoxyacetyl)amino]propyl]pyrazine-2-carboxamide
PubChem CID8990873
Molecular FormulaC16H18N4O3
Molecular Weight314.34 g/mol
Exact Mass314.14
IUPAC NameN-[3-[(2-phenoxyacetyl)amino]propyl]pyrazine-2-carboxamide
SMILESO=C(COc1ccccc1)NCCCNC(=O)c1cnccn1
InChIInChI=1S/C16H18N4O3/c21-15(12-23-13-5-2-1-3-6-13)19-7-4-8-20-16(22)14-11-17-9-10-18-14/h1-3,5-6,9-11H,4,7-8,12H2,(H,19,21)(H,20,22)
InChIKeyYGHRNHCKJOBLDK-UHFFFAOYSA-N
XLogP0.79
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 50.79
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

N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propyl]pyrazine-2-carboxamide
CID 6498608
N-[10-(pyrazine-2-carbonylamino)decyl]pyrazine-2-carboxamide
CID 71517100
N-[3-[[2-(4-ethoxyphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide
CID 108926648
N-(5-hydroxypentyl)pyrazine-2-carboxamide
CID 108796814
tert-butyl N-[2-oxo-2-[3-(pyrazine-2-carbonylamino)propylamino]ethyl]carbamate
CID 108918789
N-[3-(1,3-benzothiazol-2-yl)propyl]pyrazine-2-carboxamide
CID 46426584
N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]pyrazine-2-carboxamide
CID 8990848
N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 14230272
N-(2-phenylsulfanylethyl)pyrazine-2-carboxamide
CID 27887675
N-(4-acetamidobutyl)-2-phenoxyacetamide
CID 110358551
N-[2-[4-(4-tert-butylphenoxy)butanoylamino]ethyl]pyrazine-2-carboxamide
CID 108541737
N-(8-oxononyl)-2-phenoxyacetamide
CID 157092159

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-phenoxyacetyl)amino]propyl]pyrazine-2-carboxamide?
The IUPAC name of N-[3-[(2-phenoxyacetyl)amino]propyl]pyrazine-2-carboxamide (CID 8990873) is N-[3-[(2-phenoxyacetyl)amino]propyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-[(2-phenoxyacetyl)amino]propyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[3-[(2-phenoxyacetyl)amino]propyl]pyrazine-2-carboxamide is O=C(COc1ccccc1)NCCCNC(=O)c1cnccn1.
What is the InChIKey of N-[3-[(2-phenoxyacetyl)amino]propyl]pyrazine-2-carboxamide?
The InChIKey is YGHRNHCKJOBLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c21-15(12-23-13-5-2-1-3-6-13)19-7-4-8-20-16(22)14-11-17-9-10-18-14/h1-3,5-6,9-11H,4,7-8,12H2,(H,19,21)(H,20,22).
What are the key properties of N-[3-[(2-phenoxyacetyl)amino]propyl]pyrazine-2-carboxamide?
N-[3-[(2-phenoxyacetyl)amino]propyl]pyrazine-2-carboxamide has a molecular weight of 314.34 g/mol, XLogP of 0.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-phenoxyacetyl)amino]propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 8990873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).