[(2R)-1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 1-methylindole-2-carboxylate

C17H16N4O3 — CID 94424760

IUPAC[(2R)-1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 1-methylindole-2-carboxylate
SMILESC[C@@H](OC(=O)c1cc2ccccc2n1C)C(=O)Nc1ncccn1
InChIInChI=1S/C17H16N4O3/c1-11(15(22)20-17-18-8-5-9-19-17)24-16(23)14-10-12-6-3-4-7-13(12)21(14)2/h3-11H,1-2H3,(H,18,19,20,22)/t11-/m1/s1
InChIKeyBFKYUUBDMCPEPU-LLVKDONJSA-N
MW324.34 g/mol
LogP2.15
Rot. Bonds4

About [(2R)-1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 1-methylindole-2-carboxylate

[(2R)-1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 1-methylindole-2-carboxylate (PubChem CID 94424760) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is [(2R)-1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 1-methylindole-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 1-methylindole-2-carboxylate
PubChem CID94424760
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name[(2R)-1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 1-methylindole-2-carboxylate
SMILESC[C@@H](OC(=O)c1cc2ccccc2n1C)C(=O)Nc1ncccn1
InChIInChI=1S/C17H16N4O3/c1-11(15(22)20-17-18-8-5-9-19-17)24-16(23)14-10-12-6-3-4-7-13(12)21(14)2/h3-11H,1-2H3,(H,18,19,20,22)/t11-/m1/s1
InChIKeyBFKYUUBDMCPEPU-LLVKDONJSA-N
XLogP2.15
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-methylindole-2-carboperoxoate
CID 140791750
[1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 4-phenoxybenzoate
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[1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 71943605
1-methyl-N-(3-methylbutan-2-yl)indole-2-carboxamide
CID 18712124
[(2R)-1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 1-ethyl-2,5-dimethylpyrrole-3-carboxylate
CID 95567799
[1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 4-methyl-3-sulfamoylbenzoate
CID 55568521
N-(6-methoxy-3-pyridinyl)-1-methylindole-2-carboxamide
CID 56763350
3-methyl-2-[(1-methylindole-2-carbonyl)amino]butanoic acid
CID 118985938
[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 1-methylindole-3-carboxylate
CID 8816900
[(2R)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 1-methylpyrrole-2-carboxylate
CID 7228998
[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] pyridine-2-carboxylate
CID 8647263
[(2R)-1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 1-methylindole-3-carboxylate
CID 34021587

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 1-methylindole-2-carboxylate?
The IUPAC name of [(2R)-1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 1-methylindole-2-carboxylate (CID 94424760) is [(2R)-1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 1-methylindole-2-carboxylate.
What is the SMILES notation for [(2R)-1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 1-methylindole-2-carboxylate?
The canonical SMILES for [(2R)-1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 1-methylindole-2-carboxylate is C[C@@H](OC(=O)c1cc2ccccc2n1C)C(=O)Nc1ncccn1.
What is the InChIKey of [(2R)-1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 1-methylindole-2-carboxylate?
The InChIKey is BFKYUUBDMCPEPU-LLVKDONJSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-11(15(22)20-17-18-8-5-9-19-17)24-16(23)14-10-12-6-3-4-7-13(12)21(14)2/h3-11H,1-2H3,(H,18,19,20,22)/t11-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 1-methylindole-2-carboxylate?
[(2R)-1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 1-methylindole-2-carboxylate has a molecular weight of 324.34 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 1-methylindole-2-carboxylate is sourced from PubChem (CID 94424760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).