[6-[1-(methylcarbamoyl)indol-5-yl]oxypyrimidin-4-yl]-phenylcarbamic acid

C21H17N5O4 — CID 69316750

IUPAC[6-[1-(methylcarbamoyl)indol-5-yl]oxypyrimidin-4-yl]-phenylcarbamic acid
SMILESCNC(=O)n1ccc2cc(Oc3cc(N(C(=O)O)c4ccccc4)ncn3)ccc21
InChIInChI=1S/C21H17N5O4/c1-22-20(27)25-10-9-14-11-16(7-8-17(14)25)30-19-12-18(23-13-24-19)26(21(28)29)15-5-3-2-4-6-15/h2-13H,1H3,(H,22,27)(H,28,29)
InChIKeyKAXGODHEFOLYPM-UHFFFAOYSA-N
MW403.40 g/mol
LogP4.23
Rot. Bonds4

About [6-[1-(methylcarbamoyl)indol-5-yl]oxypyrimidin-4-yl]-phenylcarbamic acid

[6-[1-(methylcarbamoyl)indol-5-yl]oxypyrimidin-4-yl]-phenylcarbamic acid (PubChem CID 69316750) has the molecular formula C21H17N5O4 and a molecular weight of 403.40 g/mol. Its IUPAC name is [6-[1-(methylcarbamoyl)indol-5-yl]oxypyrimidin-4-yl]-phenylcarbamic acid.

Molecular Properties

Compound Name[6-[1-(methylcarbamoyl)indol-5-yl]oxypyrimidin-4-yl]-phenylcarbamic acid
PubChem CID69316750
Molecular FormulaC21H17N5O4
Molecular Weight403.40 g/mol
Exact Mass403.13
IUPAC Name[6-[1-(methylcarbamoyl)indol-5-yl]oxypyrimidin-4-yl]-phenylcarbamic acid
SMILESCNC(=O)n1ccc2cc(Oc3cc(N(C(=O)O)c4ccccc4)ncn3)ccc21
InChIInChI=1S/C21H17N5O4/c1-22-20(27)25-10-9-14-11-16(7-8-17(14)25)30-19-12-18(23-13-24-19)26(21(28)29)15-5-3-2-4-6-15/h2-13H,1H3,(H,22,27)(H,28,29)
InChIKeyKAXGODHEFOLYPM-UHFFFAOYSA-N
XLogP4.23
TPSA109.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-[1-(methylcarbamoyl)indol-5-yl]oxypyrimidin-4-yl]-phenylcarbamic acid?
The IUPAC name of [6-[1-(methylcarbamoyl)indol-5-yl]oxypyrimidin-4-yl]-phenylcarbamic acid (CID 69316750) is [6-[1-(methylcarbamoyl)indol-5-yl]oxypyrimidin-4-yl]-phenylcarbamic acid.
What is the SMILES notation for [6-[1-(methylcarbamoyl)indol-5-yl]oxypyrimidin-4-yl]-phenylcarbamic acid?
The canonical SMILES for [6-[1-(methylcarbamoyl)indol-5-yl]oxypyrimidin-4-yl]-phenylcarbamic acid is CNC(=O)n1ccc2cc(Oc3cc(N(C(=O)O)c4ccccc4)ncn3)ccc21.
What is the InChIKey of [6-[1-(methylcarbamoyl)indol-5-yl]oxypyrimidin-4-yl]-phenylcarbamic acid?
The InChIKey is KAXGODHEFOLYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O4/c1-22-20(27)25-10-9-14-11-16(7-8-17(14)25)30-19-12-18(23-13-24-19)26(21(28)29)15-5-3-2-4-6-15/h2-13H,1H3,(H,22,27)(H,28,29).
What are the key properties of [6-[1-(methylcarbamoyl)indol-5-yl]oxypyrimidin-4-yl]-phenylcarbamic acid?
[6-[1-(methylcarbamoyl)indol-5-yl]oxypyrimidin-4-yl]-phenylcarbamic acid has a molecular weight of 403.40 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[1-(methylcarbamoyl)indol-5-yl]oxypyrimidin-4-yl]-phenylcarbamic acid is sourced from PubChem (CID 69316750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).