2-[[3-(4-fluoro-3-methylphenyl)-3-pyrazin-2-ylpropyl]amino]-N-methyl-2-phenylacetamide

C23H25FN4O — CID 69042464

IUPAC2-[[3-(4-fluoro-3-methylphenyl)-3-pyrazin-2-ylpropyl]amino]-N-methyl-2-phenylacetamide
SMILESCNC(=O)C(NCCC(c1ccc(F)c(C)c1)c1cnccn1)c1ccccc1
InChIInChI=1S/C23H25FN4O/c1-16-14-18(8-9-20(16)24)19(21-15-26-12-13-27-21)10-11-28-22(23(29)25-2)17-6-4-3-5-7-17/h3-9,12-15,19,22,28H,10-11H2,1-2H3,(H,25,29)
InChIKeyWNPGRCKERABHJC-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.52
Rot. Bonds8

About 2-[[3-(4-fluoro-3-methylphenyl)-3-pyrazin-2-ylpropyl]amino]-N-methyl-2-phenylacetamide

2-[[3-(4-fluoro-3-methylphenyl)-3-pyrazin-2-ylpropyl]amino]-N-methyl-2-phenylacetamide (PubChem CID 69042464) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is 2-[[3-(4-fluoro-3-methylphenyl)-3-pyrazin-2-ylpropyl]amino]-N-methyl-2-phenylacetamide.

Molecular Properties

Compound Name2-[[3-(4-fluoro-3-methylphenyl)-3-pyrazin-2-ylpropyl]amino]-N-methyl-2-phenylacetamide
PubChem CID69042464
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC Name2-[[3-(4-fluoro-3-methylphenyl)-3-pyrazin-2-ylpropyl]amino]-N-methyl-2-phenylacetamide
SMILESCNC(=O)C(NCCC(c1ccc(F)c(C)c1)c1cnccn1)c1ccccc1
InChIInChI=1S/C23H25FN4O/c1-16-14-18(8-9-20(16)24)19(21-15-26-12-13-27-21)10-11-28-22(23(29)25-2)17-6-4-3-5-7-17/h3-9,12-15,19,22,28H,10-11H2,1-2H3,(H,25,29)
InChIKeyWNPGRCKERABHJC-UHFFFAOYSA-N
XLogP3.52
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-fluoro-3-methylphenyl)-3-pyrazin-2-ylpropyl]amino]-N-methyl-2-phenylacetamide?
The IUPAC name of 2-[[3-(4-fluoro-3-methylphenyl)-3-pyrazin-2-ylpropyl]amino]-N-methyl-2-phenylacetamide (CID 69042464) is 2-[[3-(4-fluoro-3-methylphenyl)-3-pyrazin-2-ylpropyl]amino]-N-methyl-2-phenylacetamide.
What is the SMILES notation for 2-[[3-(4-fluoro-3-methylphenyl)-3-pyrazin-2-ylpropyl]amino]-N-methyl-2-phenylacetamide?
The canonical SMILES for 2-[[3-(4-fluoro-3-methylphenyl)-3-pyrazin-2-ylpropyl]amino]-N-methyl-2-phenylacetamide is CNC(=O)C(NCCC(c1ccc(F)c(C)c1)c1cnccn1)c1ccccc1.
What is the InChIKey of 2-[[3-(4-fluoro-3-methylphenyl)-3-pyrazin-2-ylpropyl]amino]-N-methyl-2-phenylacetamide?
The InChIKey is WNPGRCKERABHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O/c1-16-14-18(8-9-20(16)24)19(21-15-26-12-13-27-21)10-11-28-22(23(29)25-2)17-6-4-3-5-7-17/h3-9,12-15,19,22,28H,10-11H2,1-2H3,(H,25,29).
What are the key properties of 2-[[3-(4-fluoro-3-methylphenyl)-3-pyrazin-2-ylpropyl]amino]-N-methyl-2-phenylacetamide?
2-[[3-(4-fluoro-3-methylphenyl)-3-pyrazin-2-ylpropyl]amino]-N-methyl-2-phenylacetamide has a molecular weight of 392.48 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-fluoro-3-methylphenyl)-3-pyrazin-2-ylpropyl]amino]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 69042464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).