2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide

C17H25N3O3 — CID 97250924

IUPAC2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide
SMILESCc1[nH]ccc1C(=O)N(CC(=O)N1CCCC1)C[C@@H]1CCCO1
InChIInChI=1S/C17H25N3O3/c1-13-15(6-7-18-13)17(22)20(11-14-5-4-10-23-14)12-16(21)19-8-2-3-9-19/h6-7,14,18H,2-5,8-12H2,1H3/t14-/m0/s1
InChIKeyZODZEZSLGBQMAK-AWEZNQCLSA-N
MW319.40 g/mol
LogP1.57
Rot. Bonds5

About 2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide

2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide (PubChem CID 97250924) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide
PubChem CID97250924
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide
SMILESCc1[nH]ccc1C(=O)N(CC(=O)N1CCCC1)C[C@@H]1CCCO1
InChIInChI=1S/C17H25N3O3/c1-13-15(6-7-18-13)17(22)20(11-14-5-4-10-23-14)12-16(21)19-8-2-3-9-19/h6-7,14,18H,2-5,8-12H2,1H3/t14-/m0/s1
InChIKeyZODZEZSLGBQMAK-AWEZNQCLSA-N
XLogP1.57
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrrole-3-carboxamide
CID 97272542
2-bromo-N-[[(2S)-oxolan-2-yl]methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 97219383
2-bromo-N-[[(2R)-oxolan-2-yl]methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 97219384
2,3-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-indole-5-carboxamide
CID 97219655
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide
CID 113160273
N-(oxolan-2-ylmethyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)but-2-ynamide
CID 146092937
2-[1H-indol-4-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone
CID 97160116
4-methoxy-3-(methylsulfamoyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 97219657
2-[(2,5-dimethylthiophene-3-carbonyl)-(oxolan-2-ylmethyl)amino]acetic acid
CID 75429114
N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide
CID 113160269
4-fluoro-N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl]-2-oxoethyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 93156582
2-[1,2-oxazol-5-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone
CID 95903622

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide (CID 97250924) is 2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide is Cc1[nH]ccc1C(=O)N(CC(=O)N1CCCC1)C[C@@H]1CCCO1.
What is the InChIKey of 2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide?
The InChIKey is ZODZEZSLGBQMAK-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-13-15(6-7-18-13)17(22)20(11-14-5-4-10-23-14)12-16(21)19-8-2-3-9-19/h6-7,14,18H,2-5,8-12H2,1H3/t14-/m0/s1.
What are the key properties of 2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide?
2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide has a molecular weight of 319.40 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 97250924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).