3-[2-[(5-tert-butyl-2-methoxyphenyl)methylamino]-5-phenylpyrrolidine-1-carbonyl]-1,5-dimethylpyridin-4-one

C30H37N3O3 — CID 134532615

IUPAC3-[2-[(5-tert-butyl-2-methoxyphenyl)methylamino]-5-phenylpyrrolidine-1-carbonyl]-1,5-dimethylpyridin-4-one
SMILESCOc1ccc(C(C)(C)C)cc1CNC1CCC(c2ccccc2)N1C(=O)c1cn(C)cc(C)c1=O
InChIInChI=1S/C30H37N3O3/c1-20-18-32(5)19-24(28(20)34)29(35)33-25(21-10-8-7-9-11-21)13-15-27(33)31-17-22-16-23(30(2,3)4)12-14-26(22)36-6/h7-12,14,16,18-19,25,27,31H,13,15,17H2,1-6H3
InChIKeyMORVGQVHIPXFFD-UHFFFAOYSA-N
MW487.64 g/mol
LogP5.09
Rot. Bonds6

About 3-[2-[(5-tert-butyl-2-methoxyphenyl)methylamino]-5-phenylpyrrolidine-1-carbonyl]-1,5-dimethylpyridin-4-one

3-[2-[(5-tert-butyl-2-methoxyphenyl)methylamino]-5-phenylpyrrolidine-1-carbonyl]-1,5-dimethylpyridin-4-one (PubChem CID 134532615) has the molecular formula C30H37N3O3 and a molecular weight of 487.64 g/mol. Its IUPAC name is 3-[2-[(5-tert-butyl-2-methoxyphenyl)methylamino]-5-phenylpyrrolidine-1-carbonyl]-1,5-dimethylpyridin-4-one.

Molecular Properties

Compound Name3-[2-[(5-tert-butyl-2-methoxyphenyl)methylamino]-5-phenylpyrrolidine-1-carbonyl]-1,5-dimethylpyridin-4-one
PubChem CID134532615
Molecular FormulaC30H37N3O3
Molecular Weight487.64 g/mol
Exact Mass487.28
IUPAC Name3-[2-[(5-tert-butyl-2-methoxyphenyl)methylamino]-5-phenylpyrrolidine-1-carbonyl]-1,5-dimethylpyridin-4-one
SMILESCOc1ccc(C(C)(C)C)cc1CNC1CCC(c2ccccc2)N1C(=O)c1cn(C)cc(C)c1=O
InChIInChI=1S/C30H37N3O3/c1-20-18-32(5)19-24(28(20)34)29(35)33-25(21-10-8-7-9-11-21)13-15-27(33)31-17-22-16-23(30(2,3)4)12-14-26(22)36-6/h7-12,14,16,18-19,25,27,31H,13,15,17H2,1-6H3
InChIKeyMORVGQVHIPXFFD-UHFFFAOYSA-N
XLogP5.09
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.64
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-[(5-tert-butyl-2-methoxyphenyl)methylamino]-5-phenylpyrrolidine-1-carbonyl]-1,5-dimethylpyridin-4-one 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-[(5-tert-butyl-2-methoxyphenyl)methylamino]-5-phenylpyrrolidin-1-yl]-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 134532608
[2-[(5-tert-butyl-2-methoxyphenyl)methylamino]-5-phenylpyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 134532585
1-[2-[(5-tert-butyl-2-methoxyphenyl)methylamino]-5-phenylpyrrolidin-1-yl]-3-methyl-2-(2-methylphenoxy)butan-1-one
CID 134532511
1-[2-[[2-methoxy-4-(trifluoromethyl)phenyl]methylamino]-5-phenylpyrrolidin-1-yl]-3-methylbutan-1-one
CID 134532749
propan-2-yl 2-[[2-methoxy-4-(trifluoromethyl)phenyl]methylamino]-5-phenylpyrrolidine-1-carboxylate
CID 134532643
(2S,3S,4S,5S)-3-tert-butyl-4-[(5-tert-butyl-2-methoxyphenyl)methylamino]-1-(2-cyclohexyl-2-methoxyacetyl)-5-phenylpyrrolidine-2-carboxylic acid
CID 140859349
(2S,3S,4S,5S)-3-tert-butyl-4-[(5-tert-butyl-2-methoxyphenyl)methylamino]-1-[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]-5-phenylpyrrolidine-2-carboxylic acid
CID 140858960
(2S,3S,4S,5S)-1-[2-(azetidine-1-carbonyl)cyclohexanecarbonyl]-3-tert-butyl-4-[(5-tert-butyl-2-methoxyphenyl)methylamino]-5-phenylpyrrolidine-2-carboxylic acid
CID 140858861
(2S,3S,4S,5S)-3-tert-butyl-4-[(5-tert-butyl-2-methoxyphenyl)methylamino]-1-(cyclohexanecarbonyl)-N-methylsulfonyl-5-phenylpyrrolidine-2-carboxamide
CID 140858664
[2-[(4-chloro-2-fluoro-5-methoxyphenyl)methylamino]-5-phenylpyrrolidin-1-yl]-cyclohexylmethanone
CID 134532495
(2S,3S,4S,5S)-1-(benzenesulfonyl)-3-tert-butyl-4-[(5-tert-butyl-2-methoxyphenyl)methylamino]-5-phenylpyrrolidine-2-carboxylic acid
CID 140858613
ethyl (2S,3S,4S,5S)-3-tert-butyl-4-[(5-tert-butyl-2-methoxyphenyl)methylamino]-1-(2,3-dihydro-1-benzofuran-2-carbonyl)-5-phenylpyrrolidine-2-carboxylate
CID 140858399

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(5-tert-butyl-2-methoxyphenyl)methylamino]-5-phenylpyrrolidine-1-carbonyl]-1,5-dimethylpyridin-4-one?
The IUPAC name of 3-[2-[(5-tert-butyl-2-methoxyphenyl)methylamino]-5-phenylpyrrolidine-1-carbonyl]-1,5-dimethylpyridin-4-one (CID 134532615) is 3-[2-[(5-tert-butyl-2-methoxyphenyl)methylamino]-5-phenylpyrrolidine-1-carbonyl]-1,5-dimethylpyridin-4-one.
What is the SMILES notation for 3-[2-[(5-tert-butyl-2-methoxyphenyl)methylamino]-5-phenylpyrrolidine-1-carbonyl]-1,5-dimethylpyridin-4-one?
The canonical SMILES for 3-[2-[(5-tert-butyl-2-methoxyphenyl)methylamino]-5-phenylpyrrolidine-1-carbonyl]-1,5-dimethylpyridin-4-one is COc1ccc(C(C)(C)C)cc1CNC1CCC(c2ccccc2)N1C(=O)c1cn(C)cc(C)c1=O.
What is the InChIKey of 3-[2-[(5-tert-butyl-2-methoxyphenyl)methylamino]-5-phenylpyrrolidine-1-carbonyl]-1,5-dimethylpyridin-4-one?
The InChIKey is MORVGQVHIPXFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N3O3/c1-20-18-32(5)19-24(28(20)34)29(35)33-25(21-10-8-7-9-11-21)13-15-27(33)31-17-22-16-23(30(2,3)4)12-14-26(22)36-6/h7-12,14,16,18-19,25,27,31H,13,15,17H2,1-6H3.
What are the key properties of 3-[2-[(5-tert-butyl-2-methoxyphenyl)methylamino]-5-phenylpyrrolidine-1-carbonyl]-1,5-dimethylpyridin-4-one?
3-[2-[(5-tert-butyl-2-methoxyphenyl)methylamino]-5-phenylpyrrolidine-1-carbonyl]-1,5-dimethylpyridin-4-one has a molecular weight of 487.64 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(5-tert-butyl-2-methoxyphenyl)methylamino]-5-phenylpyrrolidine-1-carbonyl]-1,5-dimethylpyridin-4-one is sourced from PubChem (CID 134532615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).