N-(4-tert-butylphenyl)-N-[2-(3-methyl-4-oxoimidazolidin-1-yl)-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide

C26H33N5O3 — CID 166040473

IUPACN-(4-tert-butylphenyl)-N-[2-(3-methyl-4-oxoimidazolidin-1-yl)-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide
SMILESCN1CN(C(=O)C(c2cccnc2)N(C(=O)C2CCCN2)c2ccc(C(C)(C)C)cc2)CC1=O
InChIInChI=1S/C26H33N5O3/c1-26(2,3)19-9-11-20(12-10-19)31(24(33)21-8-6-14-28-21)23(18-7-5-13-27-15-18)25(34)30-16-22(32)29(4)17-30/h5,7,9-13,15,21,23,28H,6,8,14,16-17H2,1-4H3
InChIKeyKEXYIJIYXYPIAT-UHFFFAOYSA-N
MW463.58 g/mol
LogP2.46
Rot. Bonds5

About N-(4-tert-butylphenyl)-N-[2-(3-methyl-4-oxoimidazolidin-1-yl)-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide

N-(4-tert-butylphenyl)-N-[2-(3-methyl-4-oxoimidazolidin-1-yl)-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide (PubChem CID 166040473) has the molecular formula C26H33N5O3 and a molecular weight of 463.58 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N-[2-(3-methyl-4-oxoimidazolidin-1-yl)-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-N-[2-(3-methyl-4-oxoimidazolidin-1-yl)-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide
PubChem CID166040473
Molecular FormulaC26H33N5O3
Molecular Weight463.58 g/mol
Exact Mass463.26
IUPAC NameN-(4-tert-butylphenyl)-N-[2-(3-methyl-4-oxoimidazolidin-1-yl)-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide
SMILESCN1CN(C(=O)C(c2cccnc2)N(C(=O)C2CCCN2)c2ccc(C(C)(C)C)cc2)CC1=O
InChIInChI=1S/C26H33N5O3/c1-26(2,3)19-9-11-20(12-10-19)31(24(33)21-8-6-14-28-21)23(18-7-5-13-27-15-18)25(34)30-16-22(32)29(4)17-30/h5,7,9-13,15,21,23,28H,6,8,14,16-17H2,1-4H3
InChIKeyKEXYIJIYXYPIAT-UHFFFAOYSA-N
XLogP2.46
TPSA85.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-tert-butylphenyl)-N-[2-(3-methyl-4-oxoimidazolidin-1-yl)-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N-[2-(3-methyl-4-oxoimidazolidin-1-yl)-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-N-[2-(3-methyl-4-oxoimidazolidin-1-yl)-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide (CID 166040473) is N-(4-tert-butylphenyl)-N-[2-(3-methyl-4-oxoimidazolidin-1-yl)-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-N-[2-(3-methyl-4-oxoimidazolidin-1-yl)-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-N-[2-(3-methyl-4-oxoimidazolidin-1-yl)-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide is CN1CN(C(=O)C(c2cccnc2)N(C(=O)C2CCCN2)c2ccc(C(C)(C)C)cc2)CC1=O.
What is the InChIKey of N-(4-tert-butylphenyl)-N-[2-(3-methyl-4-oxoimidazolidin-1-yl)-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide?
The InChIKey is KEXYIJIYXYPIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O3/c1-26(2,3)19-9-11-20(12-10-19)31(24(33)21-8-6-14-28-21)23(18-7-5-13-27-15-18)25(34)30-16-22(32)29(4)17-30/h5,7,9-13,15,21,23,28H,6,8,14,16-17H2,1-4H3.
What are the key properties of N-(4-tert-butylphenyl)-N-[2-(3-methyl-4-oxoimidazolidin-1-yl)-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide?
N-(4-tert-butylphenyl)-N-[2-(3-methyl-4-oxoimidazolidin-1-yl)-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide has a molecular weight of 463.58 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-N-[2-(3-methyl-4-oxoimidazolidin-1-yl)-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 166040473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).