[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 3-(pyrimidin-2-ylamino)propanoate

C19H20N4O3 — CID 55701235

IUPAC[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 3-(pyrimidin-2-ylamino)propanoate
SMILESCc1[nH]c2ccccc2c1C(=O)C(C)OC(=O)CCNc1ncccn1
InChIInChI=1S/C19H20N4O3/c1-12-17(14-6-3-4-7-15(14)23-12)18(25)13(2)26-16(24)8-11-22-19-20-9-5-10-21-19/h3-7,9-10,13,23H,8,11H2,1-2H3,(H,20,21,22)
InChIKeyRQXSYLRRPZJUHF-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.88
Rot. Bonds7

About [1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 3-(pyrimidin-2-ylamino)propanoate

[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 3-(pyrimidin-2-ylamino)propanoate (PubChem CID 55701235) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is [1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 3-(pyrimidin-2-ylamino)propanoate.

Molecular Properties

Compound Name[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 3-(pyrimidin-2-ylamino)propanoate
PubChem CID55701235
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 3-(pyrimidin-2-ylamino)propanoate
SMILESCc1[nH]c2ccccc2c1C(=O)C(C)OC(=O)CCNc1ncccn1
InChIInChI=1S/C19H20N4O3/c1-12-17(14-6-3-4-7-15(14)23-12)18(25)13(2)26-16(24)8-11-22-19-20-9-5-10-21-19/h3-7,9-10,13,23H,8,11H2,1-2H3,(H,20,21,22)
InChIKeyRQXSYLRRPZJUHF-UHFFFAOYSA-N
XLogP2.88
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 4-methylpentanoate
CID 7848272
[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 22831138
[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 3-(4-methylphenyl)sulfonylpropanoate
CID 2081390
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoate
CID 7400010
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate
CID 7599860
[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 4-(4-methylsulfanylphenyl)-4-oxobutanoate
CID 7829214
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 4-oxo-4-(4-propoxyphenyl)butanoate
CID 7189745
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
CID 7880037
[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate
CID 55459343
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] (2R)-2-hydroxy-2-phenylacetate
CID 7821861
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 4-(1,3-benzothiazol-2-yl)butanoate
CID 2082269
[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 4-(1,3-benzothiazol-2-yl)butanoate
CID 5132538

Frequently Asked Questions

What is the IUPAC name of [1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 3-(pyrimidin-2-ylamino)propanoate?
The IUPAC name of [1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 3-(pyrimidin-2-ylamino)propanoate (CID 55701235) is [1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 3-(pyrimidin-2-ylamino)propanoate.
What is the SMILES notation for [1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 3-(pyrimidin-2-ylamino)propanoate?
The canonical SMILES for [1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 3-(pyrimidin-2-ylamino)propanoate is Cc1[nH]c2ccccc2c1C(=O)C(C)OC(=O)CCNc1ncccn1.
What is the InChIKey of [1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 3-(pyrimidin-2-ylamino)propanoate?
The InChIKey is RQXSYLRRPZJUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-12-17(14-6-3-4-7-15(14)23-12)18(25)13(2)26-16(24)8-11-22-19-20-9-5-10-21-19/h3-7,9-10,13,23H,8,11H2,1-2H3,(H,20,21,22).
What are the key properties of [1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 3-(pyrimidin-2-ylamino)propanoate?
[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 3-(pyrimidin-2-ylamino)propanoate has a molecular weight of 352.39 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 3-(pyrimidin-2-ylamino)propanoate is sourced from PubChem (CID 55701235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).