5-[6-[[acetyl(methyl)amino]methyl]pyrimidin-4-yl]oxy-1H-indole-3-carboxylic acid

C17H16N4O4 — CID 67535994

IUPAC5-[6-[[acetyl(methyl)amino]methyl]pyrimidin-4-yl]oxy-1H-indole-3-carboxylic acid
SMILESCC(=O)N(C)Cc1cc(Oc2ccc3[nH]cc(C(=O)O)c3c2)ncn1
InChIInChI=1S/C17H16N4O4/c1-10(22)21(2)8-11-5-16(20-9-19-11)25-12-3-4-15-13(6-12)14(7-18-15)17(23)24/h3-7,9,18H,8H2,1-2H3,(H,23,24)
InChIKeyFTOVVWHKPOKMSU-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.43
Rot. Bonds5

About 5-[6-[[acetyl(methyl)amino]methyl]pyrimidin-4-yl]oxy-1H-indole-3-carboxylic acid

5-[6-[[acetyl(methyl)amino]methyl]pyrimidin-4-yl]oxy-1H-indole-3-carboxylic acid (PubChem CID 67535994) has the molecular formula C17H16N4O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is 5-[6-[[acetyl(methyl)amino]methyl]pyrimidin-4-yl]oxy-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name5-[6-[[acetyl(methyl)amino]methyl]pyrimidin-4-yl]oxy-1H-indole-3-carboxylic acid
PubChem CID67535994
Molecular FormulaC17H16N4O4
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC Name5-[6-[[acetyl(methyl)amino]methyl]pyrimidin-4-yl]oxy-1H-indole-3-carboxylic acid
SMILESCC(=O)N(C)Cc1cc(Oc2ccc3[nH]cc(C(=O)O)c3c2)ncn1
InChIInChI=1S/C17H16N4O4/c1-10(22)21(2)8-11-5-16(20-9-19-11)25-12-3-4-15-13(6-12)14(7-18-15)17(23)24/h3-7,9,18H,8H2,1-2H3,(H,23,24)
InChIKeyFTOVVWHKPOKMSU-UHFFFAOYSA-N
XLogP2.43
TPSA108.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[[acetyl(methyl)amino]methyl]pyrimidin-4-yl]oxy-1H-indole-3-carboxylic acid?
The IUPAC name of 5-[6-[[acetyl(methyl)amino]methyl]pyrimidin-4-yl]oxy-1H-indole-3-carboxylic acid (CID 67535994) is 5-[6-[[acetyl(methyl)amino]methyl]pyrimidin-4-yl]oxy-1H-indole-3-carboxylic acid.
What is the SMILES notation for 5-[6-[[acetyl(methyl)amino]methyl]pyrimidin-4-yl]oxy-1H-indole-3-carboxylic acid?
The canonical SMILES for 5-[6-[[acetyl(methyl)amino]methyl]pyrimidin-4-yl]oxy-1H-indole-3-carboxylic acid is CC(=O)N(C)Cc1cc(Oc2ccc3[nH]cc(C(=O)O)c3c2)ncn1.
What is the InChIKey of 5-[6-[[acetyl(methyl)amino]methyl]pyrimidin-4-yl]oxy-1H-indole-3-carboxylic acid?
The InChIKey is FTOVVWHKPOKMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4/c1-10(22)21(2)8-11-5-16(20-9-19-11)25-12-3-4-15-13(6-12)14(7-18-15)17(23)24/h3-7,9,18H,8H2,1-2H3,(H,23,24).
What are the key properties of 5-[6-[[acetyl(methyl)amino]methyl]pyrimidin-4-yl]oxy-1H-indole-3-carboxylic acid?
5-[6-[[acetyl(methyl)amino]methyl]pyrimidin-4-yl]oxy-1H-indole-3-carboxylic acid has a molecular weight of 340.34 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[[acetyl(methyl)amino]methyl]pyrimidin-4-yl]oxy-1H-indole-3-carboxylic acid is sourced from PubChem (CID 67535994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).