1-N-(2,6-dimethyl-3-pyridinyl)-4-hydroxy-2-N-methyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide;ethane

C24H34N4O3 — CID 143615279

IUPAC1-N-(2,6-dimethyl-3-pyridinyl)-4-hydroxy-2-N-methyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide;ethane
SMILESCC.Cc1ccc(CN(C)C(=O)C2CC(O)CN2C(=O)Nc2ccc(C)nc2C)cc1
InChIInChI=1S/C22H28N4O3.C2H6/c1-14-5-8-17(9-6-14)12-25(4)21(28)20-11-18(27)13-26(20)22(29)24-19-10-7-15(2)23-16(19)3;1-2/h5-10,18,20,27H,11-13H2,1-4H3,(H,24,29);1-2H3
InChIKeyOSURCPZIZMIBSL-UHFFFAOYSA-N
MW426.56 g/mol
LogP3.66
Rot. Bonds4

About 1-N-(2,6-dimethyl-3-pyridinyl)-4-hydroxy-2-N-methyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide;ethane

1-N-(2,6-dimethyl-3-pyridinyl)-4-hydroxy-2-N-methyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide;ethane (PubChem CID 143615279) has the molecular formula C24H34N4O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is 1-N-(2,6-dimethyl-3-pyridinyl)-4-hydroxy-2-N-methyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide;ethane.

Molecular Properties

Compound Name1-N-(2,6-dimethyl-3-pyridinyl)-4-hydroxy-2-N-methyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide;ethane
PubChem CID143615279
Molecular FormulaC24H34N4O3
Molecular Weight426.56 g/mol
Exact Mass426.26
IUPAC Name1-N-(2,6-dimethyl-3-pyridinyl)-4-hydroxy-2-N-methyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide;ethane
SMILESCC.Cc1ccc(CN(C)C(=O)C2CC(O)CN2C(=O)Nc2ccc(C)nc2C)cc1
InChIInChI=1S/C22H28N4O3.C2H6/c1-14-5-8-17(9-6-14)12-25(4)21(28)20-11-18(27)13-26(20)22(29)24-19-10-7-15(2)23-16(19)3;1-2/h5-10,18,20,27H,11-13H2,1-4H3,(H,24,29);1-2H3
InChIKeyOSURCPZIZMIBSL-UHFFFAOYSA-N
XLogP3.66
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-N-(6-chloro-2-methyl-3-pyridinyl)-2-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 89303525
(2S,4S)-N-(2,6-dimethyl-3-pyridinyl)-4-methoxy-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxamide
CID 154736035
1-[(4-bromophenyl)methyl-methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61415270
(2R,4R)-1-[(4-chlorophenyl)methyl-methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000410
(2R,4R)-4-hydroxy-1-[(6-methyl-2-pyridinyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78999350
4-hydroxy-1-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61186019
(2S,4S)-1-[(4-ethylphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64712537
(2S,4R)-1-[(4-fluoro-2-methylphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63843203
4-amino-N-methyl-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 60847411
(2R,4R)-4-hydroxy-2-(hydroxymethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 97247545
tert-butyl (2R,4R)-2-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]-4-hydroxypyrrolidine-1-carboxylate
CID 95769148
(2R,4R)-1-[(5-fluoro-2-methylphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000168

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,6-dimethyl-3-pyridinyl)-4-hydroxy-2-N-methyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide;ethane?
The IUPAC name of 1-N-(2,6-dimethyl-3-pyridinyl)-4-hydroxy-2-N-methyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide;ethane (CID 143615279) is 1-N-(2,6-dimethyl-3-pyridinyl)-4-hydroxy-2-N-methyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide;ethane.
What is the SMILES notation for 1-N-(2,6-dimethyl-3-pyridinyl)-4-hydroxy-2-N-methyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide;ethane?
The canonical SMILES for 1-N-(2,6-dimethyl-3-pyridinyl)-4-hydroxy-2-N-methyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide;ethane is CC.Cc1ccc(CN(C)C(=O)C2CC(O)CN2C(=O)Nc2ccc(C)nc2C)cc1.
What is the InChIKey of 1-N-(2,6-dimethyl-3-pyridinyl)-4-hydroxy-2-N-methyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide;ethane?
The InChIKey is OSURCPZIZMIBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3.C2H6/c1-14-5-8-17(9-6-14)12-25(4)21(28)20-11-18(27)13-26(20)22(29)24-19-10-7-15(2)23-16(19)3;1-2/h5-10,18,20,27H,11-13H2,1-4H3,(H,24,29);1-2H3.
What are the key properties of 1-N-(2,6-dimethyl-3-pyridinyl)-4-hydroxy-2-N-methyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide;ethane?
1-N-(2,6-dimethyl-3-pyridinyl)-4-hydroxy-2-N-methyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide;ethane has a molecular weight of 426.56 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,6-dimethyl-3-pyridinyl)-4-hydroxy-2-N-methyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide;ethane is sourced from PubChem (CID 143615279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).