ethyl 3-[2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)-3-pyridinyl]propanoate

C23H26N2O4 — CID 175028868

IUPACethyl 3-[2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)-3-pyridinyl]propanoate
SMILESCCOC(=O)CCc1cccnc1OC(=O)Nc1c2c(cc3c1CCC3)CCC2
InChIInChI=1S/C23H26N2O4/c1-2-28-20(26)12-11-15-8-5-13-24-22(15)29-23(27)25-21-18-9-3-6-16(18)14-17-7-4-10-19(17)21/h5,8,13-14H,2-4,6-7,9-12H2,1H3,(H,25,27)
InChIKeyDEDGGEYVIPLELY-UHFFFAOYSA-N
MW394.47 g/mol
LogP4.17
Rot. Bonds6

About ethyl 3-[2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)-3-pyridinyl]propanoate

ethyl 3-[2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)-3-pyridinyl]propanoate (PubChem CID 175028868) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is ethyl 3-[2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)-3-pyridinyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)-3-pyridinyl]propanoate
PubChem CID175028868
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Nameethyl 3-[2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)-3-pyridinyl]propanoate
SMILESCCOC(=O)CCc1cccnc1OC(=O)Nc1c2c(cc3c1CCC3)CCC2
InChIInChI=1S/C23H26N2O4/c1-2-28-20(26)12-11-15-8-5-13-24-22(15)29-23(27)25-21-18-9-3-6-16(18)14-17-7-4-10-19(17)21/h5,8,13-14H,2-4,6-7,9-12H2,1H3,(H,25,27)
InChIKeyDEDGGEYVIPLELY-UHFFFAOYSA-N
XLogP4.17
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 3-[2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)-3-pyridinyl]propanoate with MolForge

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Related Compounds

ethyl 4-phenylbutanoate;1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamic acid
CID 177182416
ethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)-3-pyridin-3-ylpropanoate
CID 137472972
ethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)-3-pyridazin-3-ylpropanoate
CID 137472977
1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamic acid;propan-2-yl 3-pyrimidin-2-ylpropanoate
CID 171501050
ethyl 3-[2-(3-hydroxybutyl)-3-pyridinyl]propanoate
CID 24806985
ethyl 2-(2-cyclopropyloxy-3-pyridinyl)acetate
CID 174212115
benzyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)-3-pyrimidin-2-ylpropanoate;benzyl 2-hydroxy-3-pyrimidin-2-ylpropanoate;ethyl 2-hydroxy-3-pyrimidin-2-ylpropanoate;(2R)-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)-3-pyrimidin-2-ylpropanoic acid;2-hydroxy-3-pyrimidin-2-ylpropanoic acid
CID 158925852
ethyl 2-[2-(difluoromethyl)-3-pyridinyl]acetate
CID 134663371
ethyl 3-(3-cyanophenyl)-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)propanoate
CID 170188196
ethyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)-3-(3-methylpyrazol-1-yl)propanoate
CID 137473076
ethyl 3-(1,2,3,4-tetrahydroquinolin-6-yl)propanoate
CID 23003903
ethyl 4-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-1,3,5-triazine-2-carboxylate
CID 154663517

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)-3-pyridinyl]propanoate?
The IUPAC name of ethyl 3-[2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)-3-pyridinyl]propanoate (CID 175028868) is ethyl 3-[2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)-3-pyridinyl]propanoate.
What is the SMILES notation for ethyl 3-[2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)-3-pyridinyl]propanoate?
The canonical SMILES for ethyl 3-[2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)-3-pyridinyl]propanoate is CCOC(=O)CCc1cccnc1OC(=O)Nc1c2c(cc3c1CCC3)CCC2.
What is the InChIKey of ethyl 3-[2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)-3-pyridinyl]propanoate?
The InChIKey is DEDGGEYVIPLELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-2-28-20(26)12-11-15-8-5-13-24-22(15)29-23(27)25-21-18-9-3-6-16(18)14-17-7-4-10-19(17)21/h5,8,13-14H,2-4,6-7,9-12H2,1H3,(H,25,27).
What are the key properties of ethyl 3-[2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)-3-pyridinyl]propanoate?
ethyl 3-[2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)-3-pyridinyl]propanoate has a molecular weight of 394.47 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)-3-pyridinyl]propanoate is sourced from PubChem (CID 175028868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).