(2S)-1-methyl-N-[5-[2-(methylamino)-2,3-dihydro-1H-inden-5-yl]-2,3-dihydro-1H-inden-2-yl]pyrrolidine-2-carboxamide

C25H31N3O — CID 134421623

IUPAC(2S)-1-methyl-N-[5-[2-(methylamino)-2,3-dihydro-1H-inden-5-yl]-2,3-dihydro-1H-inden-2-yl]pyrrolidine-2-carboxamide
SMILESCNC1Cc2ccc(-c3ccc4c(c3)CC(NC(=O)[C@@H]3CCCN3C)C4)cc2C1
InChIInChI=1S/C25H31N3O/c1-26-22-12-18-7-5-16(10-20(18)14-22)17-6-8-19-13-23(15-21(19)11-17)27-25(29)24-4-3-9-28(24)2/h5-8,10-11,22-24,26H,3-4,9,12-15H2,1-2H3,(H,27,29)/t22?,23?,24-/m0/s1
InChIKeyWWJSKAFUPPAZJY-VHYCJAOWSA-N
MW389.54 g/mol
LogP2.72
Rot. Bonds4

About (2S)-1-methyl-N-[5-[2-(methylamino)-2,3-dihydro-1H-inden-5-yl]-2,3-dihydro-1H-inden-2-yl]pyrrolidine-2-carboxamide

(2S)-1-methyl-N-[5-[2-(methylamino)-2,3-dihydro-1H-inden-5-yl]-2,3-dihydro-1H-inden-2-yl]pyrrolidine-2-carboxamide (PubChem CID 134421623) has the molecular formula C25H31N3O and a molecular weight of 389.54 g/mol. Its IUPAC name is (2S)-1-methyl-N-[5-[2-(methylamino)-2,3-dihydro-1H-inden-5-yl]-2,3-dihydro-1H-inden-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-methyl-N-[5-[2-(methylamino)-2,3-dihydro-1H-inden-5-yl]-2,3-dihydro-1H-inden-2-yl]pyrrolidine-2-carboxamide
PubChem CID134421623
Molecular FormulaC25H31N3O
Molecular Weight389.54 g/mol
Exact Mass389.25
IUPAC Name(2S)-1-methyl-N-[5-[2-(methylamino)-2,3-dihydro-1H-inden-5-yl]-2,3-dihydro-1H-inden-2-yl]pyrrolidine-2-carboxamide
SMILESCNC1Cc2ccc(-c3ccc4c(c3)CC(NC(=O)[C@@H]3CCCN3C)C4)cc2C1
InChIInChI=1S/C25H31N3O/c1-26-22-12-18-7-5-16(10-20(18)14-22)17-6-8-19-13-23(15-21(19)11-17)27-25(29)24-4-3-9-28(24)2/h5-8,10-11,22-24,26H,3-4,9,12-15H2,1-2H3,(H,27,29)/t22?,23?,24-/m0/s1
InChIKeyWWJSKAFUPPAZJY-VHYCJAOWSA-N
XLogP2.72
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-methyl-N-[5-[2-(methylamino)-2,3-dihydro-1H-inden-5-yl]-2,3-dihydro-1H-inden-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-methyl-N-[5-[2-(methylamino)-2,3-dihydro-1H-inden-5-yl]-2,3-dihydro-1H-inden-2-yl]pyrrolidine-2-carboxamide (CID 134421623) is (2S)-1-methyl-N-[5-[2-(methylamino)-2,3-dihydro-1H-inden-5-yl]-2,3-dihydro-1H-inden-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-methyl-N-[5-[2-(methylamino)-2,3-dihydro-1H-inden-5-yl]-2,3-dihydro-1H-inden-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-methyl-N-[5-[2-(methylamino)-2,3-dihydro-1H-inden-5-yl]-2,3-dihydro-1H-inden-2-yl]pyrrolidine-2-carboxamide is CNC1Cc2ccc(-c3ccc4c(c3)CC(NC(=O)[C@@H]3CCCN3C)C4)cc2C1.
What is the InChIKey of (2S)-1-methyl-N-[5-[2-(methylamino)-2,3-dihydro-1H-inden-5-yl]-2,3-dihydro-1H-inden-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is WWJSKAFUPPAZJY-VHYCJAOWSA-N. The full InChI is InChI=1S/C25H31N3O/c1-26-22-12-18-7-5-16(10-20(18)14-22)17-6-8-19-13-23(15-21(19)11-17)27-25(29)24-4-3-9-28(24)2/h5-8,10-11,22-24,26H,3-4,9,12-15H2,1-2H3,(H,27,29)/t22?,23?,24-/m0/s1.
What are the key properties of (2S)-1-methyl-N-[5-[2-(methylamino)-2,3-dihydro-1H-inden-5-yl]-2,3-dihydro-1H-inden-2-yl]pyrrolidine-2-carboxamide?
(2S)-1-methyl-N-[5-[2-(methylamino)-2,3-dihydro-1H-inden-5-yl]-2,3-dihydro-1H-inden-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 389.54 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methyl-N-[5-[2-(methylamino)-2,3-dihydro-1H-inden-5-yl]-2,3-dihydro-1H-inden-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 134421623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).