N-[3-methyl-4-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrazolidin-3-yl]amino]phenyl]acetamide

C22H27N5O2 — CID 166594328

IUPACN-[3-methyl-4-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrazolidin-3-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC2CC(c3ccc(N4CCCC4=O)cc3)NN2)c(C)c1
InChIInChI=1S/C22H27N5O2/c1-14-12-17(23-15(2)28)7-10-19(14)24-21-13-20(25-26-21)16-5-8-18(9-6-16)27-11-3-4-22(27)29/h5-10,12,20-21,24-26H,3-4,11,13H2,1-2H3,(H,23,28)
InChIKeyMIUHPVNWONIXRU-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.06
Rot. Bonds5

About N-[3-methyl-4-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrazolidin-3-yl]amino]phenyl]acetamide

N-[3-methyl-4-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrazolidin-3-yl]amino]phenyl]acetamide (PubChem CID 166594328) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[3-methyl-4-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrazolidin-3-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-methyl-4-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrazolidin-3-yl]amino]phenyl]acetamide
PubChem CID166594328
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC NameN-[3-methyl-4-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrazolidin-3-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC2CC(c3ccc(N4CCCC4=O)cc3)NN2)c(C)c1
InChIInChI=1S/C22H27N5O2/c1-14-12-17(23-15(2)28)7-10-19(14)24-21-13-20(25-26-21)16-5-8-18(9-6-16)27-11-3-4-22(27)29/h5-10,12,20-21,24-26H,3-4,11,13H2,1-2H3,(H,23,28)
InChIKeyMIUHPVNWONIXRU-UHFFFAOYSA-N
XLogP3.06
TPSA85.50 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrazolidin-3-yl]amino]phenyl]acetamide?
The IUPAC name of N-[3-methyl-4-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrazolidin-3-yl]amino]phenyl]acetamide (CID 166594328) is N-[3-methyl-4-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrazolidin-3-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-methyl-4-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrazolidin-3-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-methyl-4-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrazolidin-3-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(NC2CC(c3ccc(N4CCCC4=O)cc3)NN2)c(C)c1.
What is the InChIKey of N-[3-methyl-4-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrazolidin-3-yl]amino]phenyl]acetamide?
The InChIKey is MIUHPVNWONIXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-14-12-17(23-15(2)28)7-10-19(14)24-21-13-20(25-26-21)16-5-8-18(9-6-16)27-11-3-4-22(27)29/h5-10,12,20-21,24-26H,3-4,11,13H2,1-2H3,(H,23,28).
What are the key properties of N-[3-methyl-4-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrazolidin-3-yl]amino]phenyl]acetamide?
N-[3-methyl-4-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrazolidin-3-yl]amino]phenyl]acetamide has a molecular weight of 393.49 g/mol, XLogP of 3.06, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-[[5-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrazolidin-3-yl]amino]phenyl]acetamide is sourced from PubChem (CID 166594328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).