N-[3-[3-(3-hydroxypropylamino)pyrazin-2-yl]phenyl]acetamide

C15H18N4O2 — CID 126469747

IUPACN-[3-[3-(3-hydroxypropylamino)pyrazin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nccnc2NCCCO)c1
InChIInChI=1S/C15H18N4O2/c1-11(21)19-13-5-2-4-12(10-13)14-15(17-6-3-9-20)18-8-7-16-14/h2,4-5,7-8,10,20H,3,6,9H2,1H3,(H,17,18)(H,19,21)
InChIKeyXZJXTROAEPOUTO-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.90
Rot. Bonds6

About N-[3-[3-(3-hydroxypropylamino)pyrazin-2-yl]phenyl]acetamide

N-[3-[3-(3-hydroxypropylamino)pyrazin-2-yl]phenyl]acetamide (PubChem CID 126469747) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N-[3-[3-(3-hydroxypropylamino)pyrazin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-(3-hydroxypropylamino)pyrazin-2-yl]phenyl]acetamide
PubChem CID126469747
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC NameN-[3-[3-(3-hydroxypropylamino)pyrazin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nccnc2NCCCO)c1
InChIInChI=1S/C15H18N4O2/c1-11(21)19-13-5-2-4-12(10-13)14-15(17-6-3-9-20)18-8-7-16-14/h2,4-5,7-8,10,20H,3,6,9H2,1H3,(H,17,18)(H,19,21)
InChIKeyXZJXTROAEPOUTO-UHFFFAOYSA-N
XLogP1.90
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.90
H-Bond Donors ≤ 53
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-(3-cyanopyrazin-2-yl)phenyl]acetamide
CID 50983123
2-(3-acetamidophenyl)pyridine-3-carboxylic acid
CID 53223643
N-[3-[3-(naphthalen-2-ylsulfonylamino)pyrazin-2-yl]phenyl]acetamide
CID 126474142
3-[3-(ethylamino)pyrazin-2-yl]-N-(2-hydroxyethyl)benzamide
CID 126472476
N-[3-[2-(hydroxymethyl)-4-pyridinyl]phenyl]acetamide
CID 39773386
N-[3-[3-[(3S)-1-(2-hydroxyacetyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide
CID 95819324
N-[3-(5-hydroxypentoxy)phenyl]acetamide
CID 62229002
N-[3-(4-methyl-2-pyridinyl)phenyl]acetamide
CID 143373898
N-[3-[[3-(hydroxymethyl)-2-pyridinyl]amino]phenyl]acetamide
CID 82089213
1-(3-aminophenyl)-3-[3-[6-(3-hydroxypropylamino)-9-methylpurin-2-yl]phenyl]urea
CID 46891169
3-acetamido-N-(4-hydroxybutyl)benzamide
CID 106843063
N-[3-[1-(5-hydroxypentylamino)ethyl]phenyl]acetamide
CID 55053195

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(3-hydroxypropylamino)pyrazin-2-yl]phenyl]acetamide?
The IUPAC name of N-[3-[3-(3-hydroxypropylamino)pyrazin-2-yl]phenyl]acetamide (CID 126469747) is N-[3-[3-(3-hydroxypropylamino)pyrazin-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[3-(3-hydroxypropylamino)pyrazin-2-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[3-(3-hydroxypropylamino)pyrazin-2-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2nccnc2NCCCO)c1.
What is the InChIKey of N-[3-[3-(3-hydroxypropylamino)pyrazin-2-yl]phenyl]acetamide?
The InChIKey is XZJXTROAEPOUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-11(21)19-13-5-2-4-12(10-13)14-15(17-6-3-9-20)18-8-7-16-14/h2,4-5,7-8,10,20H,3,6,9H2,1H3,(H,17,18)(H,19,21).
What are the key properties of N-[3-[3-(3-hydroxypropylamino)pyrazin-2-yl]phenyl]acetamide?
N-[3-[3-(3-hydroxypropylamino)pyrazin-2-yl]phenyl]acetamide has a molecular weight of 286.34 g/mol, XLogP of 1.90, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(3-hydroxypropylamino)pyrazin-2-yl]phenyl]acetamide is sourced from PubChem (CID 126469747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).