N-[[6-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide

C21H24N4O — CID 110094772

IUPACN-[[6-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C2CCCN2Cc2c[nH]c3ccccc23)nc1
InChIInChI=1S/C21H24N4O/c1-15(26)22-11-16-8-9-20(23-12-16)21-7-4-10-25(21)14-17-13-24-19-6-3-2-5-18(17)19/h2-3,5-6,8-9,12-13,21,24H,4,7,10-11,14H2,1H3,(H,22,26)
InChIKeyQMMWCVJZHGFQMZ-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.54
Rot. Bonds5

About N-[[6-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide

N-[[6-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide (PubChem CID 110094772) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[[6-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[6-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
PubChem CID110094772
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-[[6-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C2CCCN2Cc2c[nH]c3ccccc23)nc1
InChIInChI=1S/C21H24N4O/c1-15(26)22-11-16-8-9-20(23-12-16)21-7-4-10-25(21)14-17-13-24-19-6-3-2-5-18(17)19/h2-3,5-6,8-9,12-13,21,24H,4,7,10-11,14H2,1H3,(H,22,26)
InChIKeyQMMWCVJZHGFQMZ-UHFFFAOYSA-N
XLogP3.54
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-[1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 110094722
N-[[6-[(2S)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 124969790
N-[[6-[(2R)-1-(pyrazin-2-ylmethyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 124953950
N-[[6-[(2S)-1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125019695
N-[[6-[(2S)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 124946164
N-[[6-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 110107855
N-[[2-[(2S)-1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 124946512
N-[[6-[(2S)-1-[2-(3-fluorophenyl)acetyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 124973479
N-[[6-[1-(dimethylsulfamoyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 110094766
N-[[6-[(2S)-1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 124939627
2-[[2-[6-(acetamidomethyl)-2-pyridinyl]pyrrolidin-1-yl]methyl]benzoic acid
CID 110107808
N-[[6-[1-[2-(methanesulfonamido)acetyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 110094898

Frequently Asked Questions

What is the IUPAC name of N-[[6-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide?
The IUPAC name of N-[[6-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide (CID 110094772) is N-[[6-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for N-[[6-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide?
The canonical SMILES for N-[[6-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide is CC(=O)NCc1ccc(C2CCCN2Cc2c[nH]c3ccccc23)nc1.
What is the InChIKey of N-[[6-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide?
The InChIKey is QMMWCVJZHGFQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-15(26)22-11-16-8-9-20(23-12-16)21-7-4-10-25(21)14-17-13-24-19-6-3-2-5-18(17)19/h2-3,5-6,8-9,12-13,21,24H,4,7,10-11,14H2,1H3,(H,22,26).
What are the key properties of N-[[6-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide?
N-[[6-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide has a molecular weight of 348.45 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 110094772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).