3-[(3R)-1-acetyl-2,3-dihydroindol-3-yl]-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanamide

C18H20N4O3 — CID 124918115

IUPAC3-[(3R)-1-acetyl-2,3-dihydroindol-3-yl]-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanamide
SMILESCC(=O)N1C[C@H](CCC(=O)Nc2cc(C)[nH]c(=O)n2)c2ccccc21
InChIInChI=1S/C18H20N4O3/c1-11-9-16(21-18(25)19-11)20-17(24)8-7-13-10-22(12(2)23)15-6-4-3-5-14(13)15/h3-6,9,13H,7-8,10H2,1-2H3,(H2,19,20,21,24,25)/t13-/m0/s1
InChIKeyAYAKDUOWRLLFID-ZDUSSCGKSA-N
MW340.38 g/mol
LogP1.95
Rot. Bonds4

About 3-[(3R)-1-acetyl-2,3-dihydroindol-3-yl]-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanamide

3-[(3R)-1-acetyl-2,3-dihydroindol-3-yl]-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanamide (PubChem CID 124918115) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-[(3R)-1-acetyl-2,3-dihydroindol-3-yl]-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanamide.

Molecular Properties

Compound Name3-[(3R)-1-acetyl-2,3-dihydroindol-3-yl]-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanamide
PubChem CID124918115
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name3-[(3R)-1-acetyl-2,3-dihydroindol-3-yl]-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanamide
SMILESCC(=O)N1C[C@H](CCC(=O)Nc2cc(C)[nH]c(=O)n2)c2ccccc21
InChIInChI=1S/C18H20N4O3/c1-11-9-16(21-18(25)19-11)20-17(24)8-7-13-10-22(12(2)23)15-6-4-3-5-14(13)15/h3-6,9,13H,7-8,10H2,1-2H3,(H2,19,20,21,24,25)/t13-/m0/s1
InChIKeyAYAKDUOWRLLFID-ZDUSSCGKSA-N
XLogP1.95
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-acetyl-2,3-dihydroindol-3-yl]-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanamide?
The IUPAC name of 3-[(3R)-1-acetyl-2,3-dihydroindol-3-yl]-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanamide (CID 124918115) is 3-[(3R)-1-acetyl-2,3-dihydroindol-3-yl]-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanamide.
What is the SMILES notation for 3-[(3R)-1-acetyl-2,3-dihydroindol-3-yl]-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanamide?
The canonical SMILES for 3-[(3R)-1-acetyl-2,3-dihydroindol-3-yl]-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanamide is CC(=O)N1C[C@H](CCC(=O)Nc2cc(C)[nH]c(=O)n2)c2ccccc21.
What is the InChIKey of 3-[(3R)-1-acetyl-2,3-dihydroindol-3-yl]-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanamide?
The InChIKey is AYAKDUOWRLLFID-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-11-9-16(21-18(25)19-11)20-17(24)8-7-13-10-22(12(2)23)15-6-4-3-5-14(13)15/h3-6,9,13H,7-8,10H2,1-2H3,(H2,19,20,21,24,25)/t13-/m0/s1.
What are the key properties of 3-[(3R)-1-acetyl-2,3-dihydroindol-3-yl]-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanamide?
3-[(3R)-1-acetyl-2,3-dihydroindol-3-yl]-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanamide has a molecular weight of 340.38 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-acetyl-2,3-dihydroindol-3-yl]-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanamide is sourced from PubChem (CID 124918115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).