N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-oxo-N-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

C26H32N4O4 — CID 55875470

IUPACN-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-oxo-N-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCc1cccc(NC(=O)CN(CC2CCCO2)C(=O)C2CC(=O)N(Cc3ccccn3)C2)c1C
InChIInChI=1S/C26H32N4O4/c1-18-7-5-10-23(19(18)2)28-24(31)17-30(16-22-9-6-12-34-22)26(33)20-13-25(32)29(14-20)15-21-8-3-4-11-27-21/h3-5,7-8,10-11,20,22H,6,9,12-17H2,1-2H3,(H,28,31)
InChIKeyDWZKIOQJAVZHHN-UHFFFAOYSA-N
MW464.57 g/mol
LogP2.69
Rot. Bonds8

About N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-oxo-N-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-oxo-N-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 55875470) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-oxo-N-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-oxo-N-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID55875470
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC NameN-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-oxo-N-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCc1cccc(NC(=O)CN(CC2CCCO2)C(=O)C2CC(=O)N(Cc3ccccn3)C2)c1C
InChIInChI=1S/C26H32N4O4/c1-18-7-5-10-23(19(18)2)28-24(31)17-30(16-22-9-6-12-34-22)26(33)20-13-25(32)29(14-20)15-21-8-3-4-11-27-21/h3-5,7-8,10-11,20,22H,6,9,12-17H2,1-2H3,(H,28,31)
InChIKeyDWZKIOQJAVZHHN-UHFFFAOYSA-N
XLogP2.69
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopentyl-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 55358498
5-oxo-N-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)-N-(thiolan-3-yl)pyrrolidine-3-carboxamide
CID 55873147
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 55331500
[(2S)-oxan-2-yl]methyl (3R)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxylate
CID 97084769
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 8504343
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-[[(2S)-oxolan-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 8001195
N-(2,3-dimethylphenyl)-2-[[2-(2-fluorophenyl)sulfanylacetyl]-[[(2R)-oxolan-2-yl]methyl]amino]acetamide
CID 41306981
N-(2,3-dimethylphenyl)-2-[oxolan-2-ylmethyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide
CID 86911150
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-methyl-4-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 8504329
N-(2-methyl-3-nitrophenyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 55811564
N-(1,5-dimethylpyrazol-4-yl)-2-[oxolan-2-ylmethyl(pyridin-2-ylmethyl)amino]acetamide
CID 135104742
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)triazole-4-carboxamide
CID 78873041

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-oxo-N-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-oxo-N-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (CID 55875470) is N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-oxo-N-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-oxo-N-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-oxo-N-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is Cc1cccc(NC(=O)CN(CC2CCCO2)C(=O)C2CC(=O)N(Cc3ccccn3)C2)c1C.
What is the InChIKey of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-oxo-N-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is DWZKIOQJAVZHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-18-7-5-10-23(19(18)2)28-24(31)17-30(16-22-9-6-12-34-22)26(33)20-13-25(32)29(14-20)15-21-8-3-4-11-27-21/h3-5,7-8,10-11,20,22H,6,9,12-17H2,1-2H3,(H,28,31).
What are the key properties of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-oxo-N-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-oxo-N-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 464.57 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-oxo-N-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55875470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).