1-(4-methoxyphenyl)-5-oxo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyrrolidine-3-carboxamide

C23H24N6O4 — CID 43070986

IUPAC1-(4-methoxyphenyl)-5-oxo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)Nc3ccc(NC(=O)C(C)n4cncn4)cc3)CC2=O)cc1
InChIInChI=1S/C23H24N6O4/c1-15(29-14-24-13-25-29)22(31)26-17-3-5-18(6-4-17)27-23(32)16-11-21(30)28(12-16)19-7-9-20(33-2)10-8-19/h3-10,13-16H,11-12H2,1-2H3,(H,26,31)(H,27,32)
InChIKeySKSZTBYHQGBZQZ-UHFFFAOYSA-N
MW448.48 g/mol
LogP2.48
Rot. Bonds7

About 1-(4-methoxyphenyl)-5-oxo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyrrolidine-3-carboxamide

1-(4-methoxyphenyl)-5-oxo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyrrolidine-3-carboxamide (PubChem CID 43070986) has the molecular formula C23H24N6O4 and a molecular weight of 448.48 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-oxo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5-oxo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyrrolidine-3-carboxamide
PubChem CID43070986
Molecular FormulaC23H24N6O4
Molecular Weight448.48 g/mol
Exact Mass448.19
IUPAC Name1-(4-methoxyphenyl)-5-oxo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)Nc3ccc(NC(=O)C(C)n4cncn4)cc3)CC2=O)cc1
InChIInChI=1S/C23H24N6O4/c1-15(29-14-24-13-25-29)22(31)26-17-3-5-18(6-4-17)27-23(32)16-11-21(30)28(12-16)19-7-9-20(33-2)10-8-19/h3-10,13-16H,11-12H2,1-2H3,(H,26,31)(H,27,32)
InChIKeySKSZTBYHQGBZQZ-UHFFFAOYSA-N
XLogP2.48
TPSA118.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(3R)-N,1-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704239
N-(4-acetamidophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2920874
(3R)-1-(4-methoxyphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 974529
(3S)-N-(4-chlorophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704383
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55813544
(3S)-N-(4-acetylphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1088212
N-(4-methoxyphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108791034
1-(4-methoxyphenyl)-5-oxo-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113188168
(3S)-1-(4-methoxyphenyl)-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 40666345
1-(4-methoxyphenyl)-5-oxo-N-[4-(1-phenylethylamino)phenyl]pyrrolidine-3-carboxamide
CID 60589148
N-(4-butoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785661
(3R)-N-[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7553377

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5-oxo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-5-oxo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyrrolidine-3-carboxamide (CID 43070986) is 1-(4-methoxyphenyl)-5-oxo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-5-oxo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-5-oxo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyrrolidine-3-carboxamide is COc1ccc(N2CC(C(=O)Nc3ccc(NC(=O)C(C)n4cncn4)cc3)CC2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5-oxo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyrrolidine-3-carboxamide?
The InChIKey is SKSZTBYHQGBZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O4/c1-15(29-14-24-13-25-29)22(31)26-17-3-5-18(6-4-17)27-23(32)16-11-21(30)28(12-16)19-7-9-20(33-2)10-8-19/h3-10,13-16H,11-12H2,1-2H3,(H,26,31)(H,27,32).
What are the key properties of 1-(4-methoxyphenyl)-5-oxo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyrrolidine-3-carboxamide?
1-(4-methoxyphenyl)-5-oxo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyrrolidine-3-carboxamide has a molecular weight of 448.48 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-5-oxo-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 43070986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).