N-[(2R)-1-[2-(5-methyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)-1H-indol-3-yl]propan-2-yl]acetamide

C21H22N6O — CID 136811747

IUPACN-[(2R)-1-[2-(5-methyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)-1H-indol-3-yl]propan-2-yl]acetamide
SMILESCC(=O)N[C@H](C)Cc1c(-c2nc(C)nn2-c2ccccn2)[nH]c2ccccc12
InChIInChI=1S/C21H22N6O/c1-13(23-15(3)28)12-17-16-8-4-5-9-18(16)25-20(17)21-24-14(2)26-27(21)19-10-6-7-11-22-19/h4-11,13,25H,12H2,1-3H3,(H,23,28)/t13-/m1/s1
InChIKeyYELPYDVNPORZGL-CYBMUJFWSA-N
MW374.45 g/mol
LogP3.19
Rot. Bonds5

About N-[(2R)-1-[2-(5-methyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)-1H-indol-3-yl]propan-2-yl]acetamide

N-[(2R)-1-[2-(5-methyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)-1H-indol-3-yl]propan-2-yl]acetamide (PubChem CID 136811747) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is N-[(2R)-1-[2-(5-methyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)-1H-indol-3-yl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-1-[2-(5-methyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)-1H-indol-3-yl]propan-2-yl]acetamide
PubChem CID136811747
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC NameN-[(2R)-1-[2-(5-methyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)-1H-indol-3-yl]propan-2-yl]acetamide
SMILESCC(=O)N[C@H](C)Cc1c(-c2nc(C)nn2-c2ccccn2)[nH]c2ccccc12
InChIInChI=1S/C21H22N6O/c1-13(23-15(3)28)12-17-16-8-4-5-9-18(16)25-20(17)21-24-14(2)26-27(21)19-10-6-7-11-22-19/h4-11,13,25H,12H2,1-3H3,(H,23,28)/t13-/m1/s1
InChIKeyYELPYDVNPORZGL-CYBMUJFWSA-N
XLogP3.19
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-[(2S)-2-acetamidopropyl]-1H-indole-2-carboxylate
CID 6936228
N-[(2R)-1-[2-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-1H-indol-3-yl]propan-2-yl]acetamide
CID 136698048
methyl 2-acetamido-3-(2-phenyl-1H-indol-3-yl)propanoate
CID 102519475
ethyl 2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]-3-(2-phenyl-1H-indol-3-yl)propanoyl]amino]acetate
CID 122376673
2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789053
N-butan-2-yl-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793345
N-[1-(2-fluorophenyl)propan-2-yl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 86830130
4-(5-methyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)-N-(pyridin-4-ylmethyl)aniline
CID 56879242
2-[3-methyl-5-[(2-methyl-1H-indol-3-yl)methyl]-1,2,4-triazol-1-yl]acetic acid
CID 72868259
4-oxo-1-pyridin-2-yl-9H-pyrazolo[5,4-b]quinoline-3-carboxylic acid
CID 135848103
(2S)-2-acetamido-3-[2-[3-[(2S)-2-acetamido-2-[[(1S)-1-acetamido-2-[2-[3-[(2S)-2-acetamido-3-(butylamino)-3-oxopropyl]-1H-indol-2-yl]-1H-indol-3-yl]ethyl]carbamoylamino]ethyl]-1H-indol-2-yl]-1H-indol-3-yl]-N-butylpropanamide
CID 22864836
N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 541803

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[2-(5-methyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)-1H-indol-3-yl]propan-2-yl]acetamide?
The IUPAC name of N-[(2R)-1-[2-(5-methyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)-1H-indol-3-yl]propan-2-yl]acetamide (CID 136811747) is N-[(2R)-1-[2-(5-methyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)-1H-indol-3-yl]propan-2-yl]acetamide.
What is the SMILES notation for N-[(2R)-1-[2-(5-methyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)-1H-indol-3-yl]propan-2-yl]acetamide?
The canonical SMILES for N-[(2R)-1-[2-(5-methyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)-1H-indol-3-yl]propan-2-yl]acetamide is CC(=O)N[C@H](C)Cc1c(-c2nc(C)nn2-c2ccccn2)[nH]c2ccccc12.
What is the InChIKey of N-[(2R)-1-[2-(5-methyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)-1H-indol-3-yl]propan-2-yl]acetamide?
The InChIKey is YELPYDVNPORZGL-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H22N6O/c1-13(23-15(3)28)12-17-16-8-4-5-9-18(16)25-20(17)21-24-14(2)26-27(21)19-10-6-7-11-22-19/h4-11,13,25H,12H2,1-3H3,(H,23,28)/t13-/m1/s1.
What are the key properties of N-[(2R)-1-[2-(5-methyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)-1H-indol-3-yl]propan-2-yl]acetamide?
N-[(2R)-1-[2-(5-methyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)-1H-indol-3-yl]propan-2-yl]acetamide has a molecular weight of 374.45 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[2-(5-methyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)-1H-indol-3-yl]propan-2-yl]acetamide is sourced from PubChem (CID 136811747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).