N,N-diethyl-2-[[3-[(2R)-2-[[(2S)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]-1H-indol-7-yl]oxy]acetamide

C24H32N4O3 — CID 69459178

IUPACN,N-diethyl-2-[[3-[(2R)-2-[[(2S)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]-1H-indol-7-yl]oxy]acetamide
SMILESCCN(CC)C(=O)COc1cccc2c(C[C@@H](C)NC[C@@H](O)c3cccnc3)c[nH]c12
InChIInChI=1S/C24H32N4O3/c1-4-28(5-2)23(30)16-31-22-10-6-9-20-19(14-27-24(20)22)12-17(3)26-15-21(29)18-8-7-11-25-13-18/h6-11,13-14,17,21,26-27,29H,4-5,12,15-16H2,1-3H3/t17-,21-/m1/s1
InChIKeyULIHYTDGGQVLMD-DYESRHJHSA-N
MW424.55 g/mol
LogP3.06
Rot. Bonds11

About N,N-diethyl-2-[[3-[(2R)-2-[[(2S)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]-1H-indol-7-yl]oxy]acetamide

N,N-diethyl-2-[[3-[(2R)-2-[[(2S)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]-1H-indol-7-yl]oxy]acetamide (PubChem CID 69459178) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is N,N-diethyl-2-[[3-[(2R)-2-[[(2S)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]-1H-indol-7-yl]oxy]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[[3-[(2R)-2-[[(2S)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]-1H-indol-7-yl]oxy]acetamide
PubChem CID69459178
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC NameN,N-diethyl-2-[[3-[(2R)-2-[[(2S)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]-1H-indol-7-yl]oxy]acetamide
SMILESCCN(CC)C(=O)COc1cccc2c(C[C@@H](C)NC[C@@H](O)c3cccnc3)c[nH]c12
InChIInChI=1S/C24H32N4O3/c1-4-28(5-2)23(30)16-31-22-10-6-9-20-19(14-27-24(20)22)12-17(3)26-15-21(29)18-8-7-11-25-13-18/h6-11,13-14,17,21,26-27,29H,4-5,12,15-16H2,1-3H3/t17-,21-/m1/s1
InChIKeyULIHYTDGGQVLMD-DYESRHJHSA-N
XLogP3.06
TPSA90.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[[3-[(2R)-2-[[(2S)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]-1H-indol-7-yl]oxy]acetamide?
The IUPAC name of N,N-diethyl-2-[[3-[(2R)-2-[[(2S)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]-1H-indol-7-yl]oxy]acetamide (CID 69459178) is N,N-diethyl-2-[[3-[(2R)-2-[[(2S)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]-1H-indol-7-yl]oxy]acetamide.
What is the SMILES notation for N,N-diethyl-2-[[3-[(2R)-2-[[(2S)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]-1H-indol-7-yl]oxy]acetamide?
The canonical SMILES for N,N-diethyl-2-[[3-[(2R)-2-[[(2S)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]-1H-indol-7-yl]oxy]acetamide is CCN(CC)C(=O)COc1cccc2c(C[C@@H](C)NC[C@@H](O)c3cccnc3)c[nH]c12.
What is the InChIKey of N,N-diethyl-2-[[3-[(2R)-2-[[(2S)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]-1H-indol-7-yl]oxy]acetamide?
The InChIKey is ULIHYTDGGQVLMD-DYESRHJHSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-4-28(5-2)23(30)16-31-22-10-6-9-20-19(14-27-24(20)22)12-17(3)26-15-21(29)18-8-7-11-25-13-18/h6-11,13-14,17,21,26-27,29H,4-5,12,15-16H2,1-3H3/t17-,21-/m1/s1.
What are the key properties of N,N-diethyl-2-[[3-[(2R)-2-[[(2S)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]-1H-indol-7-yl]oxy]acetamide?
N,N-diethyl-2-[[3-[(2R)-2-[[(2S)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]-1H-indol-7-yl]oxy]acetamide has a molecular weight of 424.55 g/mol, XLogP of 3.06, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[[3-[(2R)-2-[[(2S)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]-1H-indol-7-yl]oxy]acetamide is sourced from PubChem (CID 69459178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).