3-[6-[1-(1H-indol-6-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]propanamide

C21H24N4O — CID 110255865

IUPAC3-[6-[1-(1H-indol-6-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]propanamide
SMILESNC(=O)CCc1cccc(C2CCCN2Cc2ccc3cc[nH]c3c2)n1
InChIInChI=1S/C21H24N4O/c22-21(26)9-8-17-3-1-4-18(24-17)20-5-2-12-25(20)14-15-6-7-16-10-11-23-19(16)13-15/h1,3-4,6-7,10-11,13,20,23H,2,5,8-9,12,14H2,(H2,22,26)
InChIKeyDGFMIPKGSUKDFP-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.32
Rot. Bonds6

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

3-[6-[1-(1H-indol-6-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]propanamide (PubChem CID 110255865) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-[6-[1-(1H-indol-6-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]propanamide.

Molecular Properties

Compound Name3-[6-[1-(1H-indol-6-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]propanamide
PubChem CID110255865
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name3-[6-[1-(1H-indol-6-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]propanamide
SMILESNC(=O)CCc1cccc(C2CCCN2Cc2ccc3cc[nH]c3c2)n1
InChIInChI=1S/C21H24N4O/c22-21(26)9-8-17-3-1-4-18(24-17)20-5-2-12-25(20)14-15-6-7-16-10-11-23-19(16)13-15/h1,3-4,6-7,10-11,13,20,23H,2,5,8-9,12,14H2,(H2,22,26)
InChIKeyDGFMIPKGSUKDFP-UHFFFAOYSA-N
XLogP3.32
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[6-[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanamide
CID 110255864
3-[6-[1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanamide
CID 110255862
N-[[6-[(2S)-1-(1H-indol-6-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 124983565
3-[6-[(2R)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-2-pyridinyl]propanamide
CID 95820731
N-[[2-[1-(1H-indol-6-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 110095783
6-[(2-pyrimidin-4-ylpiperidin-1-yl)methyl]-1H-indole
CID 127244845
[(2S,3R)-2-(hydroxymethyl)-1-(1H-indol-6-ylmethyl)piperidin-3-yl]methanol
CID 146139282
N-[[6-[(2R)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124996366
N-[[6-[(2S)-1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125019695
4-[4-[1-(1H-indol-6-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]-3,5-dimethyl-1,2-oxazole
CID 110129488
3-[6-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanoic acid
CID 110258268
6-[[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-indole
CID 110104329

Frequently Asked Questions

What is the IUPAC name of 3-[6-[1-(1H-indol-6-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]propanamide?
The IUPAC name of 3-[6-[1-(1H-indol-6-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]propanamide (CID 110255865) is 3-[6-[1-(1H-indol-6-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]propanamide.
What is the SMILES notation for 3-[6-[1-(1H-indol-6-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]propanamide?
The canonical SMILES for 3-[6-[1-(1H-indol-6-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]propanamide is NC(=O)CCc1cccc(C2CCCN2Cc2ccc3cc[nH]c3c2)n1.
What is the InChIKey of 3-[6-[1-(1H-indol-6-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]propanamide?
The InChIKey is DGFMIPKGSUKDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c22-21(26)9-8-17-3-1-4-18(24-17)20-5-2-12-25(20)14-15-6-7-16-10-11-23-19(16)13-15/h1,3-4,6-7,10-11,13,20,23H,2,5,8-9,12,14H2,(H2,22,26).
What are the key properties of 3-[6-[1-(1H-indol-6-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]propanamide?
3-[6-[1-(1H-indol-6-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]propanamide has a molecular weight of 348.45 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[1-(1H-indol-6-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]propanamide is sourced from PubChem (CID 110255865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).