N-[3-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]prop-2-enyl]benzamide

C24H27N3O — CID 57122528

IUPACN-[3-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]prop-2-enyl]benzamide
SMILESCN1CCCC1Cc1c[nH]c2ccc(C=CCNC(=O)c3ccccc3)cc12
InChIInChI=1S/C24H27N3O/c1-27-14-6-10-21(27)16-20-17-26-23-12-11-18(15-22(20)23)7-5-13-25-24(28)19-8-3-2-4-9-19/h2-5,7-9,11-12,15,17,21,26H,6,10,13-14,16H2,1H3,(H,25,28)
InChIKeyILDSRUBLHOYLAP-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.25
Rot. Bonds6

About N-[3-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]prop-2-enyl]benzamide

N-[3-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]prop-2-enyl]benzamide (PubChem CID 57122528) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[3-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]prop-2-enyl]benzamide.

Molecular Properties

Compound NameN-[3-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]prop-2-enyl]benzamide
PubChem CID57122528
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC NameN-[3-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]prop-2-enyl]benzamide
SMILESCN1CCCC1Cc1c[nH]c2ccc(C=CCNC(=O)c3ccccc3)cc12
InChIInChI=1S/C24H27N3O/c1-27-14-6-10-21(27)16-20-17-26-23-12-11-18(15-22(20)23)7-5-13-25-24(28)19-8-3-2-4-9-19/h2-5,7-9,11-12,15,17,21,26H,6,10,13-14,16H2,1H3,(H,25,28)
InChIKeyILDSRUBLHOYLAP-UHFFFAOYSA-N
XLogP4.25
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(E)-3-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]prop-2-enyl]cyclopentan-1-ol
CID 22870304
ethenylsulfonylbenzene;3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-[(E)-3-phenylprop-1-enyl]-1H-indole
CID 91530661
5-ethenyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
CID 10220397
5-[2-(4-methylphenyl)sulfonylethenyl]-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
CID 67692097
5-[(E)-2-(4-methylphenyl)sulfonylethenyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
CID 67692093
5-bromo-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
CID 15521562
1-(3-aminophenyl)-2-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]ethanone
CID 23003804
3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-amine
CID 59715791
5-fluoro-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
CID 54476619
5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;(Z)-but-2-enedioic acid
CID 46195791
N,N-dibenzyl-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-amine
CID 54377816
3-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]propanamide
CID 54079951

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]prop-2-enyl]benzamide?
The IUPAC name of N-[3-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]prop-2-enyl]benzamide (CID 57122528) is N-[3-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]prop-2-enyl]benzamide.
What is the SMILES notation for N-[3-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]prop-2-enyl]benzamide?
The canonical SMILES for N-[3-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]prop-2-enyl]benzamide is CN1CCCC1Cc1c[nH]c2ccc(C=CCNC(=O)c3ccccc3)cc12.
What is the InChIKey of N-[3-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]prop-2-enyl]benzamide?
The InChIKey is ILDSRUBLHOYLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-27-14-6-10-21(27)16-20-17-26-23-12-11-18(15-22(20)23)7-5-13-25-24(28)19-8-3-2-4-9-19/h2-5,7-9,11-12,15,17,21,26H,6,10,13-14,16H2,1H3,(H,25,28).
What are the key properties of N-[3-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]prop-2-enyl]benzamide?
N-[3-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]prop-2-enyl]benzamide has a molecular weight of 373.50 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]prop-2-enyl]benzamide is sourced from PubChem (CID 57122528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).