N-[3-(dimethylamino)propyl]-4-[6-(3-hydroxyphenyl)pyrazin-2-yl]benzamide

C22H24N4O2 — CID 45488298

IUPACN-[3-(dimethylamino)propyl]-4-[6-(3-hydroxyphenyl)pyrazin-2-yl]benzamide
SMILESCN(C)CCCNC(=O)c1ccc(-c2cncc(-c3cccc(O)c3)n2)cc1
InChIInChI=1S/C22H24N4O2/c1-26(2)12-4-11-24-22(28)17-9-7-16(8-10-17)20-14-23-15-21(25-20)18-5-3-6-19(27)13-18/h3,5-10,13-15,27H,4,11-12H2,1-2H3,(H,24,28)
InChIKeyCQPXAWPAEZOFHY-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.20
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-4-[6-(3-hydroxyphenyl)pyrazin-2-yl]benzamide

N-[3-(dimethylamino)propyl]-4-[6-(3-hydroxyphenyl)pyrazin-2-yl]benzamide (PubChem CID 45488298) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-4-[6-(3-hydroxyphenyl)pyrazin-2-yl]benzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-4-[6-(3-hydroxyphenyl)pyrazin-2-yl]benzamide
PubChem CID45488298
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[3-(dimethylamino)propyl]-4-[6-(3-hydroxyphenyl)pyrazin-2-yl]benzamide
SMILESCN(C)CCCNC(=O)c1ccc(-c2cncc(-c3cccc(O)c3)n2)cc1
InChIInChI=1S/C22H24N4O2/c1-26(2)12-4-11-24-22(28)17-9-7-16(8-10-17)20-14-23-15-21(25-20)18-5-3-6-19(27)13-18/h3,5-10,13-15,27H,4,11-12H2,1-2H3,(H,24,28)
InChIKeyCQPXAWPAEZOFHY-UHFFFAOYSA-N
XLogP3.20
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.20
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-(dimethylamino)propyl]-4-[6-(3-hydroxyphenyl)pyrazin-2-yl]benzamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-4-[6-(3-hydroxyphenyl)pyrazin-2-yl]benzamide (CID 45488298) is N-[3-(dimethylamino)propyl]-4-[6-(3-hydroxyphenyl)pyrazin-2-yl]benzamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-4-[6-(3-hydroxyphenyl)pyrazin-2-yl]benzamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-4-[6-(3-hydroxyphenyl)pyrazin-2-yl]benzamide is CN(C)CCCNC(=O)c1ccc(-c2cncc(-c3cccc(O)c3)n2)cc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-4-[6-(3-hydroxyphenyl)pyrazin-2-yl]benzamide?
The InChIKey is CQPXAWPAEZOFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-26(2)12-4-11-24-22(28)17-9-7-16(8-10-17)20-14-23-15-21(25-20)18-5-3-6-19(27)13-18/h3,5-10,13-15,27H,4,11-12H2,1-2H3,(H,24,28).
What are the key properties of N-[3-(dimethylamino)propyl]-4-[6-(3-hydroxyphenyl)pyrazin-2-yl]benzamide?
N-[3-(dimethylamino)propyl]-4-[6-(3-hydroxyphenyl)pyrazin-2-yl]benzamide has a molecular weight of 376.46 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-4-[6-(3-hydroxyphenyl)pyrazin-2-yl]benzamide is sourced from PubChem (CID 45488298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).