3-[4-(5-methylpyrazin-2-yl)phenoxy]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide

C23H22N4O3 — CID 144948040

IUPAC3-[4-(5-methylpyrazin-2-yl)phenoxy]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCc1cnc(-c2ccc(Oc3cc(C(N)=O)ccc3CN3CCCC3=O)cc2)cn1
InChIInChI=1S/C23H22N4O3/c1-15-12-26-20(13-25-15)16-6-8-19(9-7-16)30-21-11-17(23(24)29)4-5-18(21)14-27-10-2-3-22(27)28/h4-9,11-13H,2-3,10,14H2,1H3,(H2,24,29)
InChIKeyRFNWZFKNWMGCTB-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.47
Rot. Bonds6

About 3-[4-(5-methylpyrazin-2-yl)phenoxy]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide

3-[4-(5-methylpyrazin-2-yl)phenoxy]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 144948040) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 3-[4-(5-methylpyrazin-2-yl)phenoxy]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound Name3-[4-(5-methylpyrazin-2-yl)phenoxy]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID144948040
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name3-[4-(5-methylpyrazin-2-yl)phenoxy]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCc1cnc(-c2ccc(Oc3cc(C(N)=O)ccc3CN3CCCC3=O)cc2)cn1
InChIInChI=1S/C23H22N4O3/c1-15-12-26-20(13-25-15)16-6-8-19(9-7-16)30-21-11-17(23(24)29)4-5-18(21)14-27-10-2-3-22(27)28/h4-9,11-13H,2-3,10,14H2,1H3,(H2,24,29)
InChIKeyRFNWZFKNWMGCTB-UHFFFAOYSA-N
XLogP3.47
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-methylpyrazin-2-yl)phenoxy]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of 3-[4-(5-methylpyrazin-2-yl)phenoxy]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 144948040) is 3-[4-(5-methylpyrazin-2-yl)phenoxy]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for 3-[4-(5-methylpyrazin-2-yl)phenoxy]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for 3-[4-(5-methylpyrazin-2-yl)phenoxy]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide is Cc1cnc(-c2ccc(Oc3cc(C(N)=O)ccc3CN3CCCC3=O)cc2)cn1.
What is the InChIKey of 3-[4-(5-methylpyrazin-2-yl)phenoxy]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is RFNWZFKNWMGCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-15-12-26-20(13-25-15)16-6-8-19(9-7-16)30-21-11-17(23(24)29)4-5-18(21)14-27-10-2-3-22(27)28/h4-9,11-13H,2-3,10,14H2,1H3,(H2,24,29).
What are the key properties of 3-[4-(5-methylpyrazin-2-yl)phenoxy]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
3-[4-(5-methylpyrazin-2-yl)phenoxy]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 402.45 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-methylpyrazin-2-yl)phenoxy]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 144948040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).