phenyl N-[[4-[1-(methylcarbamoyl)indol-6-yl]oxy-2-pyridinyl]oxycarbonyl]carbamate

C23H18N4O6 — CID 23072201

IUPACphenyl N-[[4-[1-(methylcarbamoyl)indol-6-yl]oxy-2-pyridinyl]oxycarbonyl]carbamate
SMILESCNC(=O)n1ccc2ccc(Oc3ccnc(OC(=O)NC(=O)Oc4ccccc4)c3)cc21
InChIInChI=1S/C23H18N4O6/c1-24-21(28)27-12-10-15-7-8-17(13-19(15)27)31-18-9-11-25-20(14-18)33-23(30)26-22(29)32-16-5-3-2-4-6-16/h2-14H,1H3,(H,24,28)(H,26,29,30)
InChIKeyMTEAUFPMBHGGJA-UHFFFAOYSA-N
MW446.42 g/mol
LogP4.30
Rot. Bonds4

About phenyl N-[[4-[1-(methylcarbamoyl)indol-6-yl]oxy-2-pyridinyl]oxycarbonyl]carbamate

phenyl N-[[4-[1-(methylcarbamoyl)indol-6-yl]oxy-2-pyridinyl]oxycarbonyl]carbamate (PubChem CID 23072201) has the molecular formula C23H18N4O6 and a molecular weight of 446.42 g/mol. Its IUPAC name is phenyl N-[[4-[1-(methylcarbamoyl)indol-6-yl]oxy-2-pyridinyl]oxycarbonyl]carbamate.

Molecular Properties

Compound Namephenyl N-[[4-[1-(methylcarbamoyl)indol-6-yl]oxy-2-pyridinyl]oxycarbonyl]carbamate
PubChem CID23072201
Molecular FormulaC23H18N4O6
Molecular Weight446.42 g/mol
Exact Mass446.12
IUPAC Namephenyl N-[[4-[1-(methylcarbamoyl)indol-6-yl]oxy-2-pyridinyl]oxycarbonyl]carbamate
SMILESCNC(=O)n1ccc2ccc(Oc3ccnc(OC(=O)NC(=O)Oc4ccccc4)c3)cc21
InChIInChI=1S/C23H18N4O6/c1-24-21(28)27-12-10-15-7-8-17(13-19(15)27)31-18-9-11-25-20(14-18)33-23(30)26-22(29)32-16-5-3-2-4-6-16/h2-14H,1H3,(H,24,28)(H,26,29,30)
InChIKeyMTEAUFPMBHGGJA-UHFFFAOYSA-N
XLogP4.30
TPSA120.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.42
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of phenyl N-[[4-[1-(methylcarbamoyl)indol-6-yl]oxy-2-pyridinyl]oxycarbonyl]carbamate?
The IUPAC name of phenyl N-[[4-[1-(methylcarbamoyl)indol-6-yl]oxy-2-pyridinyl]oxycarbonyl]carbamate (CID 23072201) is phenyl N-[[4-[1-(methylcarbamoyl)indol-6-yl]oxy-2-pyridinyl]oxycarbonyl]carbamate.
What is the SMILES notation for phenyl N-[[4-[1-(methylcarbamoyl)indol-6-yl]oxy-2-pyridinyl]oxycarbonyl]carbamate?
The canonical SMILES for phenyl N-[[4-[1-(methylcarbamoyl)indol-6-yl]oxy-2-pyridinyl]oxycarbonyl]carbamate is CNC(=O)n1ccc2ccc(Oc3ccnc(OC(=O)NC(=O)Oc4ccccc4)c3)cc21.
What is the InChIKey of phenyl N-[[4-[1-(methylcarbamoyl)indol-6-yl]oxy-2-pyridinyl]oxycarbonyl]carbamate?
The InChIKey is MTEAUFPMBHGGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O6/c1-24-21(28)27-12-10-15-7-8-17(13-19(15)27)31-18-9-11-25-20(14-18)33-23(30)26-22(29)32-16-5-3-2-4-6-16/h2-14H,1H3,(H,24,28)(H,26,29,30).
What are the key properties of phenyl N-[[4-[1-(methylcarbamoyl)indol-6-yl]oxy-2-pyridinyl]oxycarbonyl]carbamate?
phenyl N-[[4-[1-(methylcarbamoyl)indol-6-yl]oxy-2-pyridinyl]oxycarbonyl]carbamate has a molecular weight of 446.42 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[[4-[1-(methylcarbamoyl)indol-6-yl]oxy-2-pyridinyl]oxycarbonyl]carbamate is sourced from PubChem (CID 23072201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).