3-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]propanamide

C17H23N3O — CID 54079951

IUPAC3-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]propanamide
SMILESCN1CCC[C@@H]1Cc1c[nH]c2ccc(CCC(N)=O)cc12
InChIInChI=1S/C17H23N3O/c1-20-8-2-3-14(20)10-13-11-19-16-6-4-12(9-15(13)16)5-7-17(18)21/h4,6,9,11,14,19H,2-3,5,7-8,10H2,1H3,(H2,18,21)/t14-/m1/s1
InChIKeyMMJXQPSZULQJID-CQSZACIVSA-N
MW285.39 g/mol
LogP2.22
Rot. Bonds5

About 3-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]propanamide

3-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]propanamide (PubChem CID 54079951) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]propanamide.

Molecular Properties

Compound Name3-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]propanamide
PubChem CID54079951
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]propanamide
SMILESCN1CCC[C@@H]1Cc1c[nH]c2ccc(CCC(N)=O)cc12
InChIInChI=1S/C17H23N3O/c1-20-8-2-3-14(20)10-13-11-19-16-6-4-12(9-15(13)16)5-7-17(18)21/h4,6,9,11,14,19H,2-3,5,7-8,10H2,1H3,(H2,18,21)/t14-/m1/s1
InChIKeyMMJXQPSZULQJID-CQSZACIVSA-N
XLogP2.22
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]ethanesulfonamide
CID 15840027
5-(2-ethylsulfonylethyl)-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
CID 19970230
2-methyl-5-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]pentan-2-ol
CID 22870340
3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-amine
CID 59715791
1-(3-aminophenyl)-2-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]ethanone
CID 23003804
5-[2-(benzenesulfonyl)ethyl]-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole;5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
CID 67074900
1-(2,5-dibromophenyl)-2-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]ethanone
CID 23003831
5-bromo-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
CID 15521562
5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;(Z)-but-2-enedioic acid
CID 46195791
1-(2,4-dichlorophenyl)-2-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]ethanone
CID 23003786
5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;ethene
CID 143897190
5-fluoro-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
CID 54476619

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]propanamide?
The IUPAC name of 3-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]propanamide (CID 54079951) is 3-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]propanamide.
What is the SMILES notation for 3-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]propanamide?
The canonical SMILES for 3-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]propanamide is CN1CCC[C@@H]1Cc1c[nH]c2ccc(CCC(N)=O)cc12.
What is the InChIKey of 3-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]propanamide?
The InChIKey is MMJXQPSZULQJID-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N3O/c1-20-8-2-3-14(20)10-13-11-19-16-6-4-12(9-15(13)16)5-7-17(18)21/h4,6,9,11,14,19H,2-3,5,7-8,10H2,1H3,(H2,18,21)/t14-/m1/s1.
What are the key properties of 3-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]propanamide?
3-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]propanamide has a molecular weight of 285.39 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]propanamide is sourced from PubChem (CID 54079951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).