benzyl N-[2-oxo-2-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)ethyl]carbamate

C23H21N3O3 — CID 91624775

IUPACbenzyl N-[2-oxo-2-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)ethyl]carbamate
SMILESO=C(NCC(=O)N1CCc2cc(-c3ccncc3)ccc21)OCc1ccccc1
InChIInChI=1S/C23H21N3O3/c27-22(15-25-23(28)29-16-17-4-2-1-3-5-17)26-13-10-20-14-19(6-7-21(20)26)18-8-11-24-12-9-18/h1-9,11-12,14H,10,13,15-16H2,(H,25,28)
InChIKeyLLLCBSNZCCZEIW-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.56
Rot. Bonds5

About benzyl N-[2-oxo-2-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)ethyl]carbamate

benzyl N-[2-oxo-2-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)ethyl]carbamate (PubChem CID 91624775) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is benzyl N-[2-oxo-2-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-oxo-2-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)ethyl]carbamate
PubChem CID91624775
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Namebenzyl N-[2-oxo-2-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)ethyl]carbamate
SMILESO=C(NCC(=O)N1CCc2cc(-c3ccncc3)ccc21)OCc1ccccc1
InChIInChI=1S/C23H21N3O3/c27-22(15-25-23(28)29-16-17-4-2-1-3-5-17)26-13-10-20-14-19(6-7-21(20)26)18-8-11-24-12-9-18/h1-9,11-12,14H,10,13,15-16H2,(H,25,28)
InChIKeyLLLCBSNZCCZEIW-UHFFFAOYSA-N
XLogP3.56
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-phenyl-1-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)propan-1-one
CID 76587033
tert-butyl-[(2R)-1-oxo-3-phenyl-1-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)propan-2-yl]carbamic acid
CID 69077584
(2-ethylsulfanylphenyl)-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone
CID 91624751
1,3-benzothiazol-2-yl-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone
CID 91624748
1-(2,3-dihydroindol-1-yl)-2-(pyridin-4-ylmethylamino)ethanone
CID 108999656
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-phenylbenzamide
CID 110370767
N-[2-(5-acetyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzamide
CID 110746143
benzyl N-(2-amino-2-oxoethyl)carbamate
CID 69459510
benzyl 2-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]acetate
CID 30581650
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-fluoro-5-phenylbenzamide
CID 110606102
benzyl N-[2-oxo-2-[(2-pyridin-4-yl-4-pyridinyl)methylamino]ethyl]carbamate
CID 121165477
4-(1-propanoyl-2,3-dihydroindol-5-yl)benzoic acid;1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]-3-pyridin-4-ylpropan-1-one;pyridin-4-ylmethanamine
CID 167613075

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-oxo-2-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)ethyl]carbamate?
The IUPAC name of benzyl N-[2-oxo-2-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)ethyl]carbamate (CID 91624775) is benzyl N-[2-oxo-2-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-oxo-2-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)ethyl]carbamate?
The canonical SMILES for benzyl N-[2-oxo-2-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)ethyl]carbamate is O=C(NCC(=O)N1CCc2cc(-c3ccncc3)ccc21)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-oxo-2-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)ethyl]carbamate?
The InChIKey is LLLCBSNZCCZEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c27-22(15-25-23(28)29-16-17-4-2-1-3-5-17)26-13-10-20-14-19(6-7-21(20)26)18-8-11-24-12-9-18/h1-9,11-12,14H,10,13,15-16H2,(H,25,28).
What are the key properties of benzyl N-[2-oxo-2-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)ethyl]carbamate?
benzyl N-[2-oxo-2-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)ethyl]carbamate has a molecular weight of 387.44 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-oxo-2-(5-pyridin-4-yl-2,3-dihydroindol-1-yl)ethyl]carbamate is sourced from PubChem (CID 91624775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).