[4-[1-(methylcarbamoyl)indol-6-yl]oxy-2-pyridinyl]-(2-phenylphenoxy)carbonylcarbamic acid

C29H22N4O6 — CID 69311613

IUPAC[4-[1-(methylcarbamoyl)indol-6-yl]oxy-2-pyridinyl]-(2-phenylphenoxy)carbonylcarbamic acid
SMILESCNC(=O)n1ccc2ccc(Oc3ccnc(N(C(=O)O)C(=O)Oc4ccccc4-c4ccccc4)c3)cc21
InChIInChI=1S/C29H22N4O6/c1-30-27(34)32-16-14-20-11-12-21(17-24(20)32)38-22-13-15-31-26(18-22)33(28(35)36)29(37)39-25-10-6-5-9-23(25)19-7-3-2-4-8-19/h2-18H,1H3,(H,30,34)(H,35,36)
InChIKeyQBCFPDVYRQEMQN-UHFFFAOYSA-N
MW522.52 g/mol
LogP6.37
Rot. Bonds5

About [4-[1-(methylcarbamoyl)indol-6-yl]oxy-2-pyridinyl]-(2-phenylphenoxy)carbonylcarbamic acid

[4-[1-(methylcarbamoyl)indol-6-yl]oxy-2-pyridinyl]-(2-phenylphenoxy)carbonylcarbamic acid (PubChem CID 69311613) has the molecular formula C29H22N4O6 and a molecular weight of 522.52 g/mol. Its IUPAC name is [4-[1-(methylcarbamoyl)indol-6-yl]oxy-2-pyridinyl]-(2-phenylphenoxy)carbonylcarbamic acid.

Molecular Properties

Compound Name[4-[1-(methylcarbamoyl)indol-6-yl]oxy-2-pyridinyl]-(2-phenylphenoxy)carbonylcarbamic acid
PubChem CID69311613
Molecular FormulaC29H22N4O6
Molecular Weight522.52 g/mol
Exact Mass522.15
IUPAC Name[4-[1-(methylcarbamoyl)indol-6-yl]oxy-2-pyridinyl]-(2-phenylphenoxy)carbonylcarbamic acid
SMILESCNC(=O)n1ccc2ccc(Oc3ccnc(N(C(=O)O)C(=O)Oc4ccccc4-c4ccccc4)c3)cc21
InChIInChI=1S/C29H22N4O6/c1-30-27(34)32-16-14-20-11-12-21(17-24(20)32)38-22-13-15-31-26(18-22)33(28(35)36)29(37)39-25-10-6-5-9-23(25)19-7-3-2-4-8-19/h2-18H,1H3,(H,30,34)(H,35,36)
InChIKeyQBCFPDVYRQEMQN-UHFFFAOYSA-N
XLogP6.37
TPSA122.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.52
LogP ≤ 56.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

phenyl N-[[4-[1-(methylcarbamoyl)indol-6-yl]oxy-2-pyridinyl]oxycarbonyl]carbamate
CID 23072201
phenyl N-[4-[1-(morpholine-4-carbonyl)indol-5-yl]oxy-2-pyridinyl]-N-phenoxycarbonylcarbamate
CID 69316965
[6-[1-(methylcarbamoyl)indol-5-yl]oxypyrimidin-4-yl]-phenylcarbamic acid
CID 69316750
6-ethyl-N-methyl-5-[[2-(methylamino)-4-pyridinyl]oxy]indole-1-carboxamide
CID 126761978
5-[(2-amino-4-pyridinyl)oxy]-N-methyl-6-propan-2-yloxyindole-1-carboxamide
CID 86730325
N-methyl-5-[[2-(prop-2-enylcarbamoylamino)-4-pyridinyl]oxy]indole-1-carboxamide
CID 23072181
5-[[2-[[(2R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamoylamino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide
CID 10457251
5-[[2-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoylamino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide
CID 10343072
N-methyl-5-[[2-[(4-pyrrolidin-1-ylpiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide
CID 10434497
5-[[2-[3-(4-hydroxypiperidin-1-yl)propylcarbamoylamino]-4-pyridinyl]oxy]-N-methylindole-1-carboxamide
CID 10344471
[4-[1-(morpholine-4-carbonyl)indol-5-yl]oxy-2-pyridinyl]-phenylcarbamic acid
CID 69312740
5-(6-aminopyrimidin-4-yl)oxy-N-methylindole-1-carboxamide
CID 21054849

Frequently Asked Questions

What is the IUPAC name of [4-[1-(methylcarbamoyl)indol-6-yl]oxy-2-pyridinyl]-(2-phenylphenoxy)carbonylcarbamic acid?
The IUPAC name of [4-[1-(methylcarbamoyl)indol-6-yl]oxy-2-pyridinyl]-(2-phenylphenoxy)carbonylcarbamic acid (CID 69311613) is [4-[1-(methylcarbamoyl)indol-6-yl]oxy-2-pyridinyl]-(2-phenylphenoxy)carbonylcarbamic acid.
What is the SMILES notation for [4-[1-(methylcarbamoyl)indol-6-yl]oxy-2-pyridinyl]-(2-phenylphenoxy)carbonylcarbamic acid?
The canonical SMILES for [4-[1-(methylcarbamoyl)indol-6-yl]oxy-2-pyridinyl]-(2-phenylphenoxy)carbonylcarbamic acid is CNC(=O)n1ccc2ccc(Oc3ccnc(N(C(=O)O)C(=O)Oc4ccccc4-c4ccccc4)c3)cc21.
What is the InChIKey of [4-[1-(methylcarbamoyl)indol-6-yl]oxy-2-pyridinyl]-(2-phenylphenoxy)carbonylcarbamic acid?
The InChIKey is QBCFPDVYRQEMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N4O6/c1-30-27(34)32-16-14-20-11-12-21(17-24(20)32)38-22-13-15-31-26(18-22)33(28(35)36)29(37)39-25-10-6-5-9-23(25)19-7-3-2-4-8-19/h2-18H,1H3,(H,30,34)(H,35,36).
What are the key properties of [4-[1-(methylcarbamoyl)indol-6-yl]oxy-2-pyridinyl]-(2-phenylphenoxy)carbonylcarbamic acid?
[4-[1-(methylcarbamoyl)indol-6-yl]oxy-2-pyridinyl]-(2-phenylphenoxy)carbonylcarbamic acid has a molecular weight of 522.52 g/mol, XLogP of 6.37, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(methylcarbamoyl)indol-6-yl]oxy-2-pyridinyl]-(2-phenylphenoxy)carbonylcarbamic acid is sourced from PubChem (CID 69311613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).