1-(3,4-dimethylphenyl)-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-5-oxopyrrolidine-3-carboxamide

C28H32N6O2 — CID 122295600

IUPAC1-(3,4-dimethylphenyl)-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(Nc2ccc(NC(=O)C3CC(=O)N(c4ccc(C)c(C)c4)C3)cc2)nc(N2CCCC2)n1
InChIInChI=1S/C28H32N6O2/c1-18-6-11-24(14-19(18)2)34-17-21(16-26(34)35)27(36)31-23-9-7-22(8-10-23)30-25-15-20(3)29-28(32-25)33-12-4-5-13-33/h6-11,14-15,21H,4-5,12-13,16-17H2,1-3H3,(H,31,36)(H,29,30,32)
InChIKeyGXSZEHMZXGSPNX-UHFFFAOYSA-N
MW484.60 g/mol
LogP4.74
Rot. Bonds6

About 1-(3,4-dimethylphenyl)-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-5-oxopyrrolidine-3-carboxamide

1-(3,4-dimethylphenyl)-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 122295600) has the molecular formula C28H32N6O2 and a molecular weight of 484.60 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID122295600
Molecular FormulaC28H32N6O2
Molecular Weight484.60 g/mol
Exact Mass484.26
IUPAC Name1-(3,4-dimethylphenyl)-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(Nc2ccc(NC(=O)C3CC(=O)N(c4ccc(C)c(C)c4)C3)cc2)nc(N2CCCC2)n1
InChIInChI=1S/C28H32N6O2/c1-18-6-11-24(14-19(18)2)34-17-21(16-26(34)35)27(36)31-23-9-7-22(8-10-23)30-25-15-20(3)29-28(32-25)33-12-4-5-13-33/h6-11,14-15,21H,4-5,12-13,16-17H2,1-3H3,(H,31,36)(H,29,30,32)
InChIKeyGXSZEHMZXGSPNX-UHFFFAOYSA-N
XLogP4.74
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(3,4-dimethylphenyl)-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-5-oxopyrrolidine-3-carboxamide 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

N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 122296328
(3S)-1-(3,4-dimethylphenyl)-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 122291545
(3S)-1-(3,4-dimethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 40977070
(3S)-1-(3,4-dimethylphenyl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 9393411
(3R)-1-(3,4-dimethylphenyl)-5-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 40964173
(3S)-1-(4-methoxyphenyl)-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 122287560
4-[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 122346600
1-(4-methoxyphenyl)-4-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 122346363
1-(1,3-benzodioxol-5-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 108743602
1-(3,4-dimethylphenyl)-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113186155
1-(3-bromophenyl)-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 122296163
1-(3,4-dimethylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 6497645

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3,4-dimethylphenyl)-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-5-oxopyrrolidine-3-carboxamide (CID 122295600) is 1-(3,4-dimethylphenyl)-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-5-oxopyrrolidine-3-carboxamide is Cc1cc(Nc2ccc(NC(=O)C3CC(=O)N(c4ccc(C)c(C)c4)C3)cc2)nc(N2CCCC2)n1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GXSZEHMZXGSPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O2/c1-18-6-11-24(14-19(18)2)34-17-21(16-26(34)35)27(36)31-23-9-7-22(8-10-23)30-25-15-20(3)29-28(32-25)33-12-4-5-13-33/h6-11,14-15,21H,4-5,12-13,16-17H2,1-3H3,(H,31,36)(H,29,30,32).
What are the key properties of 1-(3,4-dimethylphenyl)-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-5-oxopyrrolidine-3-carboxamide?
1-(3,4-dimethylphenyl)-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 484.60 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 122295600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).