ethyl 4-[[(2R)-2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]carbamoylamino]benzoate

C25H24N4O3 — CID 92892858

IUPACethyl 4-[[(2R)-2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]carbamoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)NC[C@H](c2cccnc2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C25H24N4O3/c1-2-32-24(30)17-9-11-19(12-10-17)29-25(31)28-15-21(18-6-5-13-26-14-18)22-16-27-23-8-4-3-7-20(22)23/h3-14,16,21,27H,2,15H2,1H3,(H2,28,29,31)/t21-/m1/s1
InChIKeyYBCHMACYVPTLMM-OAQYLSRUSA-N
MW428.49 g/mol
LogP4.69
Rot. Bonds7

About ethyl 4-[[(2R)-2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]carbamoylamino]benzoate

ethyl 4-[[(2R)-2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]carbamoylamino]benzoate (PubChem CID 92892858) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is ethyl 4-[[(2R)-2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]carbamoylamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[(2R)-2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]carbamoylamino]benzoate
PubChem CID92892858
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Nameethyl 4-[[(2R)-2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]carbamoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)NC[C@H](c2cccnc2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C25H24N4O3/c1-2-32-24(30)17-9-11-19(12-10-17)29-25(31)28-15-21(18-6-5-13-26-14-18)22-16-27-23-8-4-3-7-20(22)23/h3-14,16,21,27H,2,15H2,1H3,(H2,28,29,31)/t21-/m1/s1
InChIKeyYBCHMACYVPTLMM-OAQYLSRUSA-N
XLogP4.69
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[[(2R)-2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]carbamoylamino]benzoate with MolForge

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Related Compounds

1-[(2R)-2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 92875917
1-(3-bromophenyl)-3-[2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]urea
CID 50801378
1-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-phenylurea
CID 27870739
1-(2,4-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]urea
CID 50801426
1-(2,5-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]urea
CID 50801474
1-(4-bromo-2-fluorophenyl)-3-[(2S)-2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]urea
CID 92875912
1-(4-bromo-2-fluorophenyl)-3-[2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]urea
CID 46354769
1-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 40880801
1-[(2R)-2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]-3-(4-methylphenyl)urea
CID 92892988
ethyl 4-[2-(1H-indol-3-yl)ethylcarbamoylamino]benzoate
CID 3294700
1-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 92876039
1-(4-methoxyphenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea
CID 50801348

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(2R)-2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]carbamoylamino]benzoate?
The IUPAC name of ethyl 4-[[(2R)-2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]carbamoylamino]benzoate (CID 92892858) is ethyl 4-[[(2R)-2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]carbamoylamino]benzoate.
What is the SMILES notation for ethyl 4-[[(2R)-2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]carbamoylamino]benzoate?
The canonical SMILES for ethyl 4-[[(2R)-2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]carbamoylamino]benzoate is CCOC(=O)c1ccc(NC(=O)NC[C@H](c2cccnc2)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of ethyl 4-[[(2R)-2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]carbamoylamino]benzoate?
The InChIKey is YBCHMACYVPTLMM-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-2-32-24(30)17-9-11-19(12-10-17)29-25(31)28-15-21(18-6-5-13-26-14-18)22-16-27-23-8-4-3-7-20(22)23/h3-14,16,21,27H,2,15H2,1H3,(H2,28,29,31)/t21-/m1/s1.
What are the key properties of ethyl 4-[[(2R)-2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]carbamoylamino]benzoate?
ethyl 4-[[(2R)-2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]carbamoylamino]benzoate has a molecular weight of 428.49 g/mol, XLogP of 4.69, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(2R)-2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]carbamoylamino]benzoate is sourced from PubChem (CID 92892858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).