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

C18H18N4O3 — CID 137151179

IUPAC(2R)-2-(3-acetylindol-1-yl)-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]propanamide
SMILESCC(=O)c1cn([C@H](C)C(=O)NCc2cc(=O)[nH]cn2)c2ccccc12
InChIInChI=1S/C18H18N4O3/c1-11(18(25)19-8-13-7-17(24)21-10-20-13)22-9-15(12(2)23)14-5-3-4-6-16(14)22/h3-7,9-11H,8H2,1-2H3,(H,19,25)(H,20,21,24)/t11-/m1/s1
InChIKeyZWLIMVNCCNFXSH-LLVKDONJSA-N
MW338.37 g/mol
LogP1.80
Rot. Bonds5

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

(2R)-2-(3-acetylindol-1-yl)-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]propanamide (PubChem CID 137151179) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is (2R)-2-(3-acetylindol-1-yl)-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(3-acetylindol-1-yl)-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]propanamide
PubChem CID137151179
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name(2R)-2-(3-acetylindol-1-yl)-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]propanamide
SMILESCC(=O)c1cn([C@H](C)C(=O)NCc2cc(=O)[nH]cn2)c2ccccc12
InChIInChI=1S/C18H18N4O3/c1-11(18(25)19-8-13-7-17(24)21-10-20-13)22-9-15(12(2)23)14-5-3-4-6-16(14)22/h3-7,9-11H,8H2,1-2H3,(H,19,25)(H,20,21,24)/t11-/m1/s1
InChIKeyZWLIMVNCCNFXSH-LLVKDONJSA-N
XLogP1.80
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-acetylindol-1-yl)-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]propanamide?
The IUPAC name of (2R)-2-(3-acetylindol-1-yl)-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]propanamide (CID 137151179) is (2R)-2-(3-acetylindol-1-yl)-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]propanamide.
What is the SMILES notation for (2R)-2-(3-acetylindol-1-yl)-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]propanamide?
The canonical SMILES for (2R)-2-(3-acetylindol-1-yl)-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]propanamide is CC(=O)c1cn([C@H](C)C(=O)NCc2cc(=O)[nH]cn2)c2ccccc12.
What is the InChIKey of (2R)-2-(3-acetylindol-1-yl)-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]propanamide?
The InChIKey is ZWLIMVNCCNFXSH-LLVKDONJSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-11(18(25)19-8-13-7-17(24)21-10-20-13)22-9-15(12(2)23)14-5-3-4-6-16(14)22/h3-7,9-11H,8H2,1-2H3,(H,19,25)(H,20,21,24)/t11-/m1/s1.
What are the key properties of (2R)-2-(3-acetylindol-1-yl)-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]propanamide?
(2R)-2-(3-acetylindol-1-yl)-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]propanamide has a molecular weight of 338.37 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-acetylindol-1-yl)-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]propanamide is sourced from PubChem (CID 137151179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).