methyl 6-(phenylcarbamoylamino)-1H-indole-4-carboxylate

C17H15N3O3 — CID 166209612

IUPACmethyl 6-(phenylcarbamoylamino)-1H-indole-4-carboxylate
SMILESCOC(=O)c1cc(NC(=O)Nc2ccccc2)cc2[nH]ccc12
InChIInChI=1S/C17H15N3O3/c1-23-16(21)14-9-12(10-15-13(14)7-8-18-15)20-17(22)19-11-5-3-2-4-6-11/h2-10,18H,1H3,(H2,19,20,22)
InChIKeyXZBHOEADBORTOG-UHFFFAOYSA-N
MW309.33 g/mol
LogP3.60
Rot. Bonds3

About methyl 6-(phenylcarbamoylamino)-1H-indole-4-carboxylate

methyl 6-(phenylcarbamoylamino)-1H-indole-4-carboxylate (PubChem CID 166209612) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is methyl 6-(phenylcarbamoylamino)-1H-indole-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-(phenylcarbamoylamino)-1H-indole-4-carboxylate
PubChem CID166209612
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Namemethyl 6-(phenylcarbamoylamino)-1H-indole-4-carboxylate
SMILESCOC(=O)c1cc(NC(=O)Nc2ccccc2)cc2[nH]ccc12
InChIInChI=1S/C17H15N3O3/c1-23-16(21)14-9-12(10-15-13(14)7-8-18-15)20-17(22)19-11-5-3-2-4-6-11/h2-10,18H,1H3,(H2,19,20,22)
InChIKeyXZBHOEADBORTOG-UHFFFAOYSA-N
XLogP3.60
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 6-[(4,5-dimethyl-1H-pyrazol-3-yl)carbamoylamino]-1H-indole-4-carboxylate
CID 167865415
methyl 6-[(1-propan-2-ylpyrazol-3-yl)carbamoylamino]-1H-indole-4-carboxylate
CID 167810448
methyl 6-hydroxy-1H-indole-4-carboxylate
CID 76846746
1-[(4-methoxycarbonyl-1H-indol-6-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122093673
methyl 6-fluoro-1H-indole-4-carboxylate
CID 46835634
2-[ethyl-[3-[(4-methoxycarbonyl-1H-indol-6-yl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122093679
methyl 6-phenylmethoxy-1H-indole-4-carboxylate
CID 138110778
N,N-dimethyl-6-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1H-indole-4-carboxamide
CID 155411931
ethyl 6-[(4-oxo-1H-quinoline-3-carbonyl)amino]-1H-indole-4-carboxylate;6-[(4-oxo-1H-quinoline-3-carbonyl)amino]-1H-indole-4-carboxylic acid
CID 157331243
methyl 5-bromo-2-(phenylcarbamoylamino)benzoate
CID 939786
ethyl 6-benzoyl-1H-indole-4-carboxylate
CID 135007756
methyl 4-chloro-3-(phenylcarbamoylamino)benzoate
CID 110423296

Frequently Asked Questions

What is the IUPAC name of methyl 6-(phenylcarbamoylamino)-1H-indole-4-carboxylate?
The IUPAC name of methyl 6-(phenylcarbamoylamino)-1H-indole-4-carboxylate (CID 166209612) is methyl 6-(phenylcarbamoylamino)-1H-indole-4-carboxylate.
What is the SMILES notation for methyl 6-(phenylcarbamoylamino)-1H-indole-4-carboxylate?
The canonical SMILES for methyl 6-(phenylcarbamoylamino)-1H-indole-4-carboxylate is COC(=O)c1cc(NC(=O)Nc2ccccc2)cc2[nH]ccc12.
What is the InChIKey of methyl 6-(phenylcarbamoylamino)-1H-indole-4-carboxylate?
The InChIKey is XZBHOEADBORTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-23-16(21)14-9-12(10-15-13(14)7-8-18-15)20-17(22)19-11-5-3-2-4-6-11/h2-10,18H,1H3,(H2,19,20,22).
What are the key properties of methyl 6-(phenylcarbamoylamino)-1H-indole-4-carboxylate?
methyl 6-(phenylcarbamoylamino)-1H-indole-4-carboxylate has a molecular weight of 309.33 g/mol, XLogP of 3.60, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(phenylcarbamoylamino)-1H-indole-4-carboxylate is sourced from PubChem (CID 166209612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).