methyl 3-[(2R)-2-[[(2S)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]-1H-indole-7-carboxylate

C20H23N3O3 — CID 69458822

IUPACmethyl 3-[(2R)-2-[[(2S)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]-1H-indole-7-carboxylate
SMILESCOC(=O)c1cccc2c(C[C@@H](C)NC[C@@H](O)c3cccnc3)c[nH]c12
InChIInChI=1S/C20H23N3O3/c1-13(22-12-18(24)14-5-4-8-21-10-14)9-15-11-23-19-16(15)6-3-7-17(19)20(25)26-2/h3-8,10-11,13,18,22-24H,9,12H2,1-2H3/t13-,18-/m1/s1
InChIKeyOYJOMURKWKLKIK-FZKQIMNGSA-N
MW353.42 g/mol
LogP2.60
Rot. Bonds7

About methyl 3-[(2R)-2-[[(2S)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]-1H-indole-7-carboxylate

methyl 3-[(2R)-2-[[(2S)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]-1H-indole-7-carboxylate (PubChem CID 69458822) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is methyl 3-[(2R)-2-[[(2S)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]-1H-indole-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2R)-2-[[(2S)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]-1H-indole-7-carboxylate
PubChem CID69458822
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Namemethyl 3-[(2R)-2-[[(2S)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]-1H-indole-7-carboxylate
SMILESCOC(=O)c1cccc2c(C[C@@H](C)NC[C@@H](O)c3cccnc3)c[nH]c12
InChIInChI=1S/C20H23N3O3/c1-13(22-12-18(24)14-5-4-8-21-10-14)9-15-11-23-19-16(15)6-3-7-17(19)20(25)26-2/h3-8,10-11,13,18,22-24H,9,12H2,1-2H3/t13-,18-/m1/s1
InChIKeyOYJOMURKWKLKIK-FZKQIMNGSA-N
XLogP2.60
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze methyl 3-[(2R)-2-[[(2S)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]-1H-indole-7-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2R)-2-[[(2S)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]-1H-indole-7-carboxylate?
The IUPAC name of methyl 3-[(2R)-2-[[(2S)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]-1H-indole-7-carboxylate (CID 69458822) is methyl 3-[(2R)-2-[[(2S)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]-1H-indole-7-carboxylate.
What is the SMILES notation for methyl 3-[(2R)-2-[[(2S)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]-1H-indole-7-carboxylate?
The canonical SMILES for methyl 3-[(2R)-2-[[(2S)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]-1H-indole-7-carboxylate is COC(=O)c1cccc2c(C[C@@H](C)NC[C@@H](O)c3cccnc3)c[nH]c12.
What is the InChIKey of methyl 3-[(2R)-2-[[(2S)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]-1H-indole-7-carboxylate?
The InChIKey is OYJOMURKWKLKIK-FZKQIMNGSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-13(22-12-18(24)14-5-4-8-21-10-14)9-15-11-23-19-16(15)6-3-7-17(19)20(25)26-2/h3-8,10-11,13,18,22-24H,9,12H2,1-2H3/t13-,18-/m1/s1.
What are the key properties of methyl 3-[(2R)-2-[[(2S)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]-1H-indole-7-carboxylate?
methyl 3-[(2R)-2-[[(2S)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]-1H-indole-7-carboxylate has a molecular weight of 353.42 g/mol, XLogP of 2.60, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2R)-2-[[(2S)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]-1H-indole-7-carboxylate is sourced from PubChem (CID 69458822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).