5-[6-[[acetyl(methyl)amino]methyl]pyrimidin-4-yl]oxyindole-1-carboxylic acid

C17H16N4O4 — CID 67538335

IUPAC5-[6-[[acetyl(methyl)amino]methyl]pyrimidin-4-yl]oxyindole-1-carboxylic acid
SMILESCC(=O)N(C)Cc1cc(Oc2ccc3c(ccn3C(=O)O)c2)ncn1
InChIInChI=1S/C17H16N4O4/c1-11(22)20(2)9-13-8-16(19-10-18-13)25-14-3-4-15-12(7-14)5-6-21(15)17(23)24/h3-8,10H,9H2,1-2H3,(H,23,24)
InChIKeyPUVVYRAREXXWEC-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.73
Rot. Bonds4

About 5-[6-[[acetyl(methyl)amino]methyl]pyrimidin-4-yl]oxyindole-1-carboxylic acid

5-[6-[[acetyl(methyl)amino]methyl]pyrimidin-4-yl]oxyindole-1-carboxylic acid (PubChem CID 67538335) 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]oxyindole-1-carboxylic acid.

Molecular Properties

Compound Name5-[6-[[acetyl(methyl)amino]methyl]pyrimidin-4-yl]oxyindole-1-carboxylic acid
PubChem CID67538335
Molecular FormulaC17H16N4O4
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC Name5-[6-[[acetyl(methyl)amino]methyl]pyrimidin-4-yl]oxyindole-1-carboxylic acid
SMILESCC(=O)N(C)Cc1cc(Oc2ccc3c(ccn3C(=O)O)c2)ncn1
InChIInChI=1S/C17H16N4O4/c1-11(22)20(2)9-13-8-16(19-10-18-13)25-14-3-4-15-12(7-14)5-6-21(15)17(23)24/h3-8,10H,9H2,1-2H3,(H,23,24)
InChIKeyPUVVYRAREXXWEC-UHFFFAOYSA-N
XLogP2.73
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[6-[cyano(trimethylsilyloxy)methyl]pyrimidin-4-yl]oxyindole-1-carboxylic acid
CID 67535151
5-[6-[[acetyl(methyl)amino]methyl]pyrimidin-4-yl]oxy-1H-indole-3-carboxylic acid
CID 67535994
N-[[6-(1-methylindol-5-yl)oxypyrimidin-4-yl]methyl]-N-pyrrolidin-3-ylacetamide
CID 129044968
5-[6-[[amino-[(Z)-1-aminoethylideneamino]amino]methyl]pyrimidin-4-yl]oxy-N-[4-fluoro-3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 129044859
5-(6-aminopyrimidin-4-yl)oxy-N-methylindole-1-carboxamide
CID 21054849
5-methoxyindole-1-carboxylic acid
CID 68566461
5-[6-[[acetyl(pyrrolidin-3-yl)amino]methyl]pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 59394774
N-(1-tert-butylpyrazol-3-yl)-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide
CID 59394167
[5-[6-[(dimethylamino)methyl]pyrimidin-4-yl]oxyindol-1-yl] N-(5-propan-2-yl-1H-pyrazol-3-yl)carbamate
CID 129018219
[6-[1-(methylcarbamoyl)indol-5-yl]oxypyrimidin-4-yl]-phenylcarbamic acid
CID 69316750
5-(2-methyl-6-methylsulfonylpyrimidin-4-yl)oxyindole-1-carboxylic acid
CID 67538833
(4-nitrophenyl) 5-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxyindole-1-carboxylate
CID 59394514

Frequently Asked Questions

What is the IUPAC name of 5-[6-[[acetyl(methyl)amino]methyl]pyrimidin-4-yl]oxyindole-1-carboxylic acid?
The IUPAC name of 5-[6-[[acetyl(methyl)amino]methyl]pyrimidin-4-yl]oxyindole-1-carboxylic acid (CID 67538335) is 5-[6-[[acetyl(methyl)amino]methyl]pyrimidin-4-yl]oxyindole-1-carboxylic acid.
What is the SMILES notation for 5-[6-[[acetyl(methyl)amino]methyl]pyrimidin-4-yl]oxyindole-1-carboxylic acid?
The canonical SMILES for 5-[6-[[acetyl(methyl)amino]methyl]pyrimidin-4-yl]oxyindole-1-carboxylic acid is CC(=O)N(C)Cc1cc(Oc2ccc3c(ccn3C(=O)O)c2)ncn1.
What is the InChIKey of 5-[6-[[acetyl(methyl)amino]methyl]pyrimidin-4-yl]oxyindole-1-carboxylic acid?
The InChIKey is PUVVYRAREXXWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4/c1-11(22)20(2)9-13-8-16(19-10-18-13)25-14-3-4-15-12(7-14)5-6-21(15)17(23)24/h3-8,10H,9H2,1-2H3,(H,23,24).
What are the key properties of 5-[6-[[acetyl(methyl)amino]methyl]pyrimidin-4-yl]oxyindole-1-carboxylic acid?
5-[6-[[acetyl(methyl)amino]methyl]pyrimidin-4-yl]oxyindole-1-carboxylic acid has a molecular weight of 340.34 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[[acetyl(methyl)amino]methyl]pyrimidin-4-yl]oxyindole-1-carboxylic acid is sourced from PubChem (CID 67538335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).