(2S,3S)-1-methyl-N-(2-methyl-1,3-dihydroinden-2-yl)-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxamide

C20H24N4O2 — CID 138015761

IUPAC(2S,3S)-1-methyl-N-(2-methyl-1,3-dihydroinden-2-yl)-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCN1C(=O)C[C@H](C(=O)NC2(C)Cc3ccccc3C2)[C@H]1c1nccn1C
InChIInChI=1S/C20H24N4O2/c1-20(11-13-6-4-5-7-14(13)12-20)22-19(26)15-10-16(25)24(3)17(15)18-21-8-9-23(18)2/h4-9,15,17H,10-12H2,1-3H3,(H,22,26)/t15-,17-/m0/s1
InChIKeyCFYYOXDXMVYDHK-RDJZCZTQSA-N
MW352.44 g/mol
LogP1.61
Rot. Bonds3

About (2S,3S)-1-methyl-N-(2-methyl-1,3-dihydroinden-2-yl)-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxamide

(2S,3S)-1-methyl-N-(2-methyl-1,3-dihydroinden-2-yl)-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 138015761) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is (2S,3S)-1-methyl-N-(2-methyl-1,3-dihydroinden-2-yl)-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-1-methyl-N-(2-methyl-1,3-dihydroinden-2-yl)-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID138015761
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name(2S,3S)-1-methyl-N-(2-methyl-1,3-dihydroinden-2-yl)-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCN1C(=O)C[C@H](C(=O)NC2(C)Cc3ccccc3C2)[C@H]1c1nccn1C
InChIInChI=1S/C20H24N4O2/c1-20(11-13-6-4-5-7-14(13)12-20)22-19(26)15-10-16(25)24(3)17(15)18-21-8-9-23(18)2/h4-9,15,17H,10-12H2,1-3H3,(H,22,26)/t15-,17-/m0/s1
InChIKeyCFYYOXDXMVYDHK-RDJZCZTQSA-N
XLogP1.61
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-N-[(5-chlorofuran-2-yl)methyl]-1-methyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 138015692
2-hydroxy-N-(2-methyl-1,3-dihydroinden-2-yl)cyclopentane-1-carboxamide
CID 110016726
(2S,3S)-N-[6-(dimethylamino)-2-pyridinyl]-1-methyl-2-(1-methylimidazol-2-yl)-6-oxopiperidine-3-carboxamide
CID 154794240
(2S,3S)-1-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-oxo-N-[(1-pyridin-2-ylcyclopropyl)methyl]pyrrolidine-3-carboxamide
CID 138012998
(2R,3S)-1-methyl-5-oxo-2-phenyl-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrrolidine-3-carboxamide
CID 95767503
1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 122359916
(2S,3S)-1-methyl-N-(3-methyl-2-pyridinyl)-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 29136965
(2R,3R)-1-methyl-5-oxo-2-phenyl-N-pyridin-2-ylpyrrolidine-3-carboxamide
CID 29131786
(2S,3S)-N-[6-(dimethylamino)pyrimidin-4-yl]-1-methyl-2-(1-methylimidazol-2-yl)-6-oxopiperidine-3-carboxamide
CID 167939929
1-methyl-5-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 75538089
(5R,6S)-5-[(1H-benzimidazol-2-ylamino)methyl]-1-methyl-6-(1-methylimidazol-2-yl)piperidin-2-one
CID 154761058
N-cyclohexyl-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 75538079

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1-methyl-N-(2-methyl-1,3-dihydroinden-2-yl)-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (2S,3S)-1-methyl-N-(2-methyl-1,3-dihydroinden-2-yl)-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxamide (CID 138015761) is (2S,3S)-1-methyl-N-(2-methyl-1,3-dihydroinden-2-yl)-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (2S,3S)-1-methyl-N-(2-methyl-1,3-dihydroinden-2-yl)-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (2S,3S)-1-methyl-N-(2-methyl-1,3-dihydroinden-2-yl)-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxamide is CN1C(=O)C[C@H](C(=O)NC2(C)Cc3ccccc3C2)[C@H]1c1nccn1C.
What is the InChIKey of (2S,3S)-1-methyl-N-(2-methyl-1,3-dihydroinden-2-yl)-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is CFYYOXDXMVYDHK-RDJZCZTQSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-20(11-13-6-4-5-7-14(13)12-20)22-19(26)15-10-16(25)24(3)17(15)18-21-8-9-23(18)2/h4-9,15,17H,10-12H2,1-3H3,(H,22,26)/t15-,17-/m0/s1.
What are the key properties of (2S,3S)-1-methyl-N-(2-methyl-1,3-dihydroinden-2-yl)-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
(2S,3S)-1-methyl-N-(2-methyl-1,3-dihydroinden-2-yl)-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1-methyl-N-(2-methyl-1,3-dihydroinden-2-yl)-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 138015761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).