1-(4-methylphenyl)-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide

C24H32N6O2 — CID 122326458

IUPAC1-(4-methylphenyl)-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NCCNc3cc(N4CCCCC4)nc(C)n3)CC2=O)cc1
InChIInChI=1S/C24H32N6O2/c1-17-6-8-20(9-7-17)30-16-19(14-23(30)31)24(32)26-11-10-25-21-15-22(28-18(2)27-21)29-12-4-3-5-13-29/h6-9,15,19H,3-5,10-14,16H2,1-2H3,(H,26,32)(H,25,27,28)
InChIKeyRCVZDCCXKSGWEC-UHFFFAOYSA-N
MW436.56 g/mol
LogP2.66
Rot. Bonds7

About 1-(4-methylphenyl)-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide

1-(4-methylphenyl)-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 122326458) has the molecular formula C24H32N6O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID122326458
Molecular FormulaC24H32N6O2
Molecular Weight436.56 g/mol
Exact Mass436.26
IUPAC Name1-(4-methylphenyl)-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NCCNc3cc(N4CCCCC4)nc(C)n3)CC2=O)cc1
InChIInChI=1S/C24H32N6O2/c1-17-6-8-20(9-7-17)30-16-19(14-23(30)31)24(32)26-11-10-25-21-15-22(28-18(2)27-21)29-12-4-3-5-13-29/h6-9,15,19H,3-5,10-14,16H2,1-2H3,(H,26,32)(H,25,27,28)
InChIKeyRCVZDCCXKSGWEC-UHFFFAOYSA-N
XLogP2.66
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]cyclohexanecarboxamide
CID 50947846
(3S)-1-(4-chlorophenyl)-N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 122291104
1-(4-methylphenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 122352811
(3S)-N-(2-acetamidoethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30595729
1-(4-methylphenyl)-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 122321567
N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 122320784
1-(4-chlorophenyl)-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 122295155
N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 122325404
N-[2-[[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 122328699
1-(3,4-dimethylphenyl)-5-oxo-N-[2-[(6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]pyrrolidine-3-carboxamide
CID 122308134
(3S)-1-(4-fluorophenyl)-N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 122290847
N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide
CID 121074644

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-methylphenyl)-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide (CID 122326458) is 1-(4-methylphenyl)-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)NCCNc3cc(N4CCCCC4)nc(C)n3)CC2=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RCVZDCCXKSGWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O2/c1-17-6-8-20(9-7-17)30-16-19(14-23(30)31)24(32)26-11-10-25-21-15-22(28-18(2)27-21)29-12-4-3-5-13-29/h6-9,15,19H,3-5,10-14,16H2,1-2H3,(H,26,32)(H,25,27,28).
What are the key properties of 1-(4-methylphenyl)-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide?
1-(4-methylphenyl)-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 436.56 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 122326458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).