2-(4-tert-butyl-N-(2-chloroacetyl)anilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-3-ylacetamide

C25H31ClN4O3 — CID 166816086

IUPAC2-(4-tert-butyl-N-(2-chloroacetyl)anilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-3-ylacetamide
SMILESCC(C)(C)c1ccc(N(C(=O)CCl)C(C(=O)NCC(=O)N2CCCC2)c2cccnc2)cc1
InChIInChI=1S/C25H31ClN4O3/c1-25(2,3)19-8-10-20(11-9-19)30(21(31)15-26)23(18-7-6-12-27-16-18)24(33)28-17-22(32)29-13-4-5-14-29/h6-12,16,23H,4-5,13-15,17H2,1-3H3,(H,28,33)
InChIKeyOZOGKYQAGUHSGV-UHFFFAOYSA-N
MW471.00 g/mol
LogP3.43
Rot. Bonds7

About 2-(4-tert-butyl-N-(2-chloroacetyl)anilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-3-ylacetamide

2-(4-tert-butyl-N-(2-chloroacetyl)anilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-3-ylacetamide (PubChem CID 166816086) has the molecular formula C25H31ClN4O3 and a molecular weight of 471.00 g/mol. Its IUPAC name is 2-(4-tert-butyl-N-(2-chloroacetyl)anilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-(4-tert-butyl-N-(2-chloroacetyl)anilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-3-ylacetamide
PubChem CID166816086
Molecular FormulaC25H31ClN4O3
Molecular Weight471.00 g/mol
Exact Mass470.21
IUPAC Name2-(4-tert-butyl-N-(2-chloroacetyl)anilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-3-ylacetamide
SMILESCC(C)(C)c1ccc(N(C(=O)CCl)C(C(=O)NCC(=O)N2CCCC2)c2cccnc2)cc1
InChIInChI=1S/C25H31ClN4O3/c1-25(2,3)19-8-10-20(11-9-19)30(21(31)15-26)23(18-7-6-12-27-16-18)24(33)28-17-22(32)29-13-4-5-14-29/h6-12,16,23H,4-5,13-15,17H2,1-3H3,(H,28,33)
InChIKeyOZOGKYQAGUHSGV-UHFFFAOYSA-N
XLogP3.43
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.00
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-(4-tert-butyl-N-(2-chloroacetyl)anilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-3-ylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[(4-tert-butylphenyl)-[2-[(2-morpholin-4-yl-2-oxoethyl)amino]-2-oxo-1-pyridin-3-ylethyl]carbamoyl]pyrrolidine-1-carboxylic acid
CID 166791221
(2R)-N-(4-tert-butylphenyl)-N-[2-[(2-morpholin-4-yl-2-oxoethyl)amino]-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide
CID 166040656
ethyl 2-[[2-[4-tert-butyl-N-(1,3-oxazole-4-carbonyl)anilino]-2-pyridin-3-ylacetyl]amino]acetate
CID 156906527
N-tert-butyl-2-(4-tert-butyl-N-(2-pyridin-3-ylacetyl)anilino)-2-pyridin-3-ylacetamide
CID 44634782
N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)pyridine-3-carboxamide
CID 45489437
(2R)-N-(4-tert-butylphenyl)-1-cyano-N-[2-[3-(dimethylamino)propylamino]-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide
CID 156894752
(2S)-N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-1-propanoylpyrrolidine-2-carboxamide
CID 166510341
N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)pyridine-4-carboxamide
CID 45489439
(2R)-N-(4-tert-butylphenyl)-N-[2-[3-(dimethylamino)propylamino]-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide
CID 166040279
(2R,4R)-4-methoxy-1-methyl-N-[2-oxo-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1-pyridin-3-ylethyl]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]pyrrolidine-2-carboxamide
CID 156893871
(2R)-N-(4-tert-butylphenyl)-1-cyano-N-[2-oxo-1-pyridin-3-yl-2-(pyridin-4-ylmethylamino)ethyl]pyrrolidine-2-carboxamide
CID 156894217
N-(4-tert-butylphenyl)-N-[2-(3-methoxypropylamino)-2-oxo-1-pyridin-3-ylethyl]pyrrolidine-2-carboxamide
CID 156894262

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-N-(2-chloroacetyl)anilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-3-ylacetamide?
The IUPAC name of 2-(4-tert-butyl-N-(2-chloroacetyl)anilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-3-ylacetamide (CID 166816086) is 2-(4-tert-butyl-N-(2-chloroacetyl)anilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-3-ylacetamide.
What is the SMILES notation for 2-(4-tert-butyl-N-(2-chloroacetyl)anilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-3-ylacetamide?
The canonical SMILES for 2-(4-tert-butyl-N-(2-chloroacetyl)anilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-3-ylacetamide is CC(C)(C)c1ccc(N(C(=O)CCl)C(C(=O)NCC(=O)N2CCCC2)c2cccnc2)cc1.
What is the InChIKey of 2-(4-tert-butyl-N-(2-chloroacetyl)anilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-3-ylacetamide?
The InChIKey is OZOGKYQAGUHSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN4O3/c1-25(2,3)19-8-10-20(11-9-19)30(21(31)15-26)23(18-7-6-12-27-16-18)24(33)28-17-22(32)29-13-4-5-14-29/h6-12,16,23H,4-5,13-15,17H2,1-3H3,(H,28,33).
What are the key properties of 2-(4-tert-butyl-N-(2-chloroacetyl)anilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-3-ylacetamide?
2-(4-tert-butyl-N-(2-chloroacetyl)anilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-3-ylacetamide has a molecular weight of 471.00 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-N-(2-chloroacetyl)anilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-3-ylacetamide is sourced from PubChem (CID 166816086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).