5-(2-propan-2-ylphenoxy)-2-[1-(pyrazine-2-carbonyl)pyrrolidin-3-yl]benzamide

C25H26N4O3 — CID 156815667

IUPAC5-(2-propan-2-ylphenoxy)-2-[1-(pyrazine-2-carbonyl)pyrrolidin-3-yl]benzamide
SMILESCC(C)c1ccccc1Oc1ccc(C2CCN(C(=O)c3cnccn3)C2)c(C(N)=O)c1
InChIInChI=1S/C25H26N4O3/c1-16(2)19-5-3-4-6-23(19)32-18-7-8-20(21(13-18)24(26)30)17-9-12-29(15-17)25(31)22-14-27-10-11-28-22/h3-8,10-11,13-14,16-17H,9,12,15H2,1-2H3,(H2,26,30)
InChIKeyOVQXKTCTGKQWTN-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.12
Rot. Bonds6

About 5-(2-propan-2-ylphenoxy)-2-[1-(pyrazine-2-carbonyl)pyrrolidin-3-yl]benzamide

5-(2-propan-2-ylphenoxy)-2-[1-(pyrazine-2-carbonyl)pyrrolidin-3-yl]benzamide (PubChem CID 156815667) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 5-(2-propan-2-ylphenoxy)-2-[1-(pyrazine-2-carbonyl)pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name5-(2-propan-2-ylphenoxy)-2-[1-(pyrazine-2-carbonyl)pyrrolidin-3-yl]benzamide
PubChem CID156815667
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name5-(2-propan-2-ylphenoxy)-2-[1-(pyrazine-2-carbonyl)pyrrolidin-3-yl]benzamide
SMILESCC(C)c1ccccc1Oc1ccc(C2CCN(C(=O)c3cnccn3)C2)c(C(N)=O)c1
InChIInChI=1S/C25H26N4O3/c1-16(2)19-5-3-4-6-23(19)32-18-7-8-20(21(13-18)24(26)30)17-9-12-29(15-17)25(31)22-14-27-10-11-28-22/h3-8,10-11,13-14,16-17H,9,12,15H2,1-2H3,(H2,26,30)
InChIKeyOVQXKTCTGKQWTN-UHFFFAOYSA-N
XLogP4.12
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(1,2-dihydropyridine-2-carbonyl)pyrrolidin-3-yl]-5-(2-propan-2-ylphenoxy)benzamide
CID 166683161
[3-[2-methyl-4-(2-propan-2-ylphenoxy)phenyl]pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 156815282
[3-[2-(hydroxymethyl)-4-(2-propan-2-ylphenyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 166004229
(3-chloro-1,2-dihydropyridin-2-yl)-[3-[2-(hydroxymethyl)-4-(2-propan-2-ylphenoxy)phenyl]pyrrolidin-1-yl]methanone
CID 166683182
[4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95822355
3-chloropyridine;5-(2-ethylphenoxy)-2-(1-formylpyrrolidin-3-yl)benzamide
CID 175576170
[(3R)-3-[4-(2-cyclopropylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone;ethane;[(3R)-3-[4-(2-ethylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone;[(3R)-3-[4-(2-ethylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone;[(3R)-3-[2-(hydroxymethyl)-4-(2-propan-2-ylphenyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone;[(3R)-3-[2-(hydroxymethyl)-4-(2-propan-2-ylphenyl)phenyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 167649744
3-[2-(hydroxymethyl)-4-(2-propan-2-ylphenoxy)phenyl]pyrrolidine-1-carbaldehyde
CID 156814653
pyrazin-2-yl-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 95841608
[3-[4-(2-cyclopropylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 156814637
[(3R)-3-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95822353
5-[3-(2-methoxyphenyl)pyrrolidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120689077

Frequently Asked Questions

What is the IUPAC name of 5-(2-propan-2-ylphenoxy)-2-[1-(pyrazine-2-carbonyl)pyrrolidin-3-yl]benzamide?
The IUPAC name of 5-(2-propan-2-ylphenoxy)-2-[1-(pyrazine-2-carbonyl)pyrrolidin-3-yl]benzamide (CID 156815667) is 5-(2-propan-2-ylphenoxy)-2-[1-(pyrazine-2-carbonyl)pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 5-(2-propan-2-ylphenoxy)-2-[1-(pyrazine-2-carbonyl)pyrrolidin-3-yl]benzamide?
The canonical SMILES for 5-(2-propan-2-ylphenoxy)-2-[1-(pyrazine-2-carbonyl)pyrrolidin-3-yl]benzamide is CC(C)c1ccccc1Oc1ccc(C2CCN(C(=O)c3cnccn3)C2)c(C(N)=O)c1.
What is the InChIKey of 5-(2-propan-2-ylphenoxy)-2-[1-(pyrazine-2-carbonyl)pyrrolidin-3-yl]benzamide?
The InChIKey is OVQXKTCTGKQWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-16(2)19-5-3-4-6-23(19)32-18-7-8-20(21(13-18)24(26)30)17-9-12-29(15-17)25(31)22-14-27-10-11-28-22/h3-8,10-11,13-14,16-17H,9,12,15H2,1-2H3,(H2,26,30).
What are the key properties of 5-(2-propan-2-ylphenoxy)-2-[1-(pyrazine-2-carbonyl)pyrrolidin-3-yl]benzamide?
5-(2-propan-2-ylphenoxy)-2-[1-(pyrazine-2-carbonyl)pyrrolidin-3-yl]benzamide has a molecular weight of 430.51 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-propan-2-ylphenoxy)-2-[1-(pyrazine-2-carbonyl)pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 156815667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).