2-(1H-indol-3-yl)-N-[(1S)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide

C21H23N5O — CID 29139599

IUPAC2-(1H-indol-3-yl)-N-[(1S)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide
SMILESCC(C)C[C@H](NC(=O)Cc1c[nH]c2ccccc12)c1nnc2ccccn12
InChIInChI=1S/C21H23N5O/c1-14(2)11-18(21-25-24-19-9-5-6-10-26(19)21)23-20(27)12-15-13-22-17-8-4-3-7-16(15)17/h3-10,13-14,18,22H,11-12H2,1-2H3,(H,23,27)/t18-/m0/s1
InChIKeyYSTXEYUSGFGZRY-SFHVURJKSA-N
MW361.45 g/mol
LogP3.66
Rot. Bonds6

About 2-(1H-indol-3-yl)-N-[(1S)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide

2-(1H-indol-3-yl)-N-[(1S)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide (PubChem CID 29139599) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[(1S)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[(1S)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide
PubChem CID29139599
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name2-(1H-indol-3-yl)-N-[(1S)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide
SMILESCC(C)C[C@H](NC(=O)Cc1c[nH]c2ccccc12)c1nnc2ccccn12
InChIInChI=1S/C21H23N5O/c1-14(2)11-18(21-25-24-19-9-5-6-10-26(19)21)23-20(27)12-15-13-22-17-8-4-3-7-16(15)17/h3-10,13-14,18,22H,11-12H2,1-2H3,(H,23,27)/t18-/m0/s1
InChIKeyYSTXEYUSGFGZRY-SFHVURJKSA-N
XLogP3.66
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 71828269
N-[2-[[(1S)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]amino]-2-oxoethyl]pyrazine-2-carboxamide
CID 71827793
2-[3-(4-methoxyphenyl)-5-methylpyrazolidin-4-yl]-N-[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide
CID 134126708
N-but-3-yn-2-yl-2-(1H-indol-3-yl)acetamide
CID 114389821
2-(4-hydroxyphenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 78820554
2-(1H-indol-3-yl)-N-(1-pyridin-4-ylethyl)acetamide
CID 17427007
N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 99870982
N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-1,3-benzodioxole-5-carboxamide
CID 29136545
2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide
CID 124873450
2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1S)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide
CID 91640680
3-(4-methoxyphenyl)-N-[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]pyrazolidine-4-carboxamide
CID 134126658
2-(2,5-dichlorophenyl)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 96548439

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[(1S)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-[(1S)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide (CID 29139599) is 2-(1H-indol-3-yl)-N-[(1S)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[(1S)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[(1S)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide is CC(C)C[C@H](NC(=O)Cc1c[nH]c2ccccc12)c1nnc2ccccn12.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[(1S)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide?
The InChIKey is YSTXEYUSGFGZRY-SFHVURJKSA-N. The full InChI is InChI=1S/C21H23N5O/c1-14(2)11-18(21-25-24-19-9-5-6-10-26(19)21)23-20(27)12-15-13-22-17-8-4-3-7-16(15)17/h3-10,13-14,18,22H,11-12H2,1-2H3,(H,23,27)/t18-/m0/s1.
What are the key properties of 2-(1H-indol-3-yl)-N-[(1S)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide?
2-(1H-indol-3-yl)-N-[(1S)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide has a molecular weight of 361.45 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[(1S)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide is sourced from PubChem (CID 29139599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).