N-[5-hydroxy-3-[(1-methylpyrrolidin-2-yl)methyl]indol-1-yl]-N-methylformamide

C16H21N3O2 — CID 54448608

IUPACN-[5-hydroxy-3-[(1-methylpyrrolidin-2-yl)methyl]indol-1-yl]-N-methylformamide
SMILESCN1CCCC1Cc1cn(N(C)C=O)c2ccc(O)cc12
InChIInChI=1S/C16H21N3O2/c1-17-7-3-4-13(17)8-12-10-19(18(2)11-20)16-6-5-14(21)9-15(12)16/h5-6,9-11,13,21H,3-4,7-8H2,1-2H3
InChIKeyWTIJRESMDFMKRM-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.71
Rot. Bonds4

About N-[5-hydroxy-3-[(1-methylpyrrolidin-2-yl)methyl]indol-1-yl]-N-methylformamide

N-[5-hydroxy-3-[(1-methylpyrrolidin-2-yl)methyl]indol-1-yl]-N-methylformamide (PubChem CID 54448608) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[5-hydroxy-3-[(1-methylpyrrolidin-2-yl)methyl]indol-1-yl]-N-methylformamide.

Molecular Properties

Compound NameN-[5-hydroxy-3-[(1-methylpyrrolidin-2-yl)methyl]indol-1-yl]-N-methylformamide
PubChem CID54448608
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[5-hydroxy-3-[(1-methylpyrrolidin-2-yl)methyl]indol-1-yl]-N-methylformamide
SMILESCN1CCCC1Cc1cn(N(C)C=O)c2ccc(O)cc12
InChIInChI=1S/C16H21N3O2/c1-17-7-3-4-13(17)8-12-10-19(18(2)11-20)16-6-5-14(21)9-15(12)16/h5-6,9-11,13,21H,3-4,7-8H2,1-2H3
InChIKeyWTIJRESMDFMKRM-UHFFFAOYSA-N
XLogP1.71
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[5-cyclohexyloxy-3-[(1-methylpyrrolidin-2-yl)methyl]indol-1-yl]-(4-methoxyphenyl)methanone
CID 54178530
1-[5-[2-(benzenesulfonyl)ethyl]-3-[(1-methylpyrrolidin-2-yl)methyl]indol-1-yl]ethanone
CID 59095980
1,3-benzodioxol-5-yl-[5-cyclohexyloxy-3-[(1-methylpyrrolidin-2-yl)methyl]indol-1-yl]methanone
CID 18694432
[5-cyclohexyloxy-3-[(1-methylpyrrolidin-2-yl)methyl]indol-1-yl]-thiophen-2-ylmethanone
CID 18694427
1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2,3-dihydro-1H-inden-5-ol
CID 107685114
4-[[(2S)-1-methylpyrrolidin-2-yl]methyl]benzene-1,2-diol
CID 94064047
tert-butyl 5-[5-(methylcarbamoyl)-3-pyridinyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole-1-carboxylate
CID 22859554
benzyl N-[(2S)-1-[1-amino-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-5-yl]-1-oxopropan-2-yl]carbamate
CID 57290824
2-[(2-chlorophenyl)methyl]-1-methylpyrrolidine
CID 23452576
3,5-dihydroxy-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 107704093
5-[(1-methylpyrrolidin-2-yl)methyl]-1H-pyrazole-3-carbaldehyde
CID 115092706
[methyl-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]amino] hydrogen sulfite
CID 174263324

Frequently Asked Questions

What is the IUPAC name of N-[5-hydroxy-3-[(1-methylpyrrolidin-2-yl)methyl]indol-1-yl]-N-methylformamide?
The IUPAC name of N-[5-hydroxy-3-[(1-methylpyrrolidin-2-yl)methyl]indol-1-yl]-N-methylformamide (CID 54448608) is N-[5-hydroxy-3-[(1-methylpyrrolidin-2-yl)methyl]indol-1-yl]-N-methylformamide.
What is the SMILES notation for N-[5-hydroxy-3-[(1-methylpyrrolidin-2-yl)methyl]indol-1-yl]-N-methylformamide?
The canonical SMILES for N-[5-hydroxy-3-[(1-methylpyrrolidin-2-yl)methyl]indol-1-yl]-N-methylformamide is CN1CCCC1Cc1cn(N(C)C=O)c2ccc(O)cc12.
What is the InChIKey of N-[5-hydroxy-3-[(1-methylpyrrolidin-2-yl)methyl]indol-1-yl]-N-methylformamide?
The InChIKey is WTIJRESMDFMKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-17-7-3-4-13(17)8-12-10-19(18(2)11-20)16-6-5-14(21)9-15(12)16/h5-6,9-11,13,21H,3-4,7-8H2,1-2H3.
What are the key properties of N-[5-hydroxy-3-[(1-methylpyrrolidin-2-yl)methyl]indol-1-yl]-N-methylformamide?
N-[5-hydroxy-3-[(1-methylpyrrolidin-2-yl)methyl]indol-1-yl]-N-methylformamide has a molecular weight of 287.36 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-hydroxy-3-[(1-methylpyrrolidin-2-yl)methyl]indol-1-yl]-N-methylformamide is sourced from PubChem (CID 54448608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).