5-[5-[(2S)-2-amino-3-phenylpropoxy]-3-pyridinyl]-1,3-dihydroindol-2-one

C22H21N3O2 — CID 16731843

IUPAC5-[5-[(2S)-2-amino-3-phenylpropoxy]-3-pyridinyl]-1,3-dihydroindol-2-one
SMILESN[C@H](COc1cncc(-c2ccc3c(c2)CC(=O)N3)c1)Cc1ccccc1
InChIInChI=1S/C22H21N3O2/c23-19(8-15-4-2-1-3-5-15)14-27-20-10-18(12-24-13-20)16-6-7-21-17(9-16)11-22(26)25-21/h1-7,9-10,12-13,19H,8,11,14,23H2,(H,25,26)/t19-/m0/s1
InChIKeyIEKFJQOIRAQOSI-IBGZPJMESA-N
MW359.43 g/mol
LogP3.19
Rot. Bonds6

About 5-[5-[(2S)-2-amino-3-phenylpropoxy]-3-pyridinyl]-1,3-dihydroindol-2-one

5-[5-[(2S)-2-amino-3-phenylpropoxy]-3-pyridinyl]-1,3-dihydroindol-2-one (PubChem CID 16731843) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 5-[5-[(2S)-2-amino-3-phenylpropoxy]-3-pyridinyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[5-[(2S)-2-amino-3-phenylpropoxy]-3-pyridinyl]-1,3-dihydroindol-2-one
PubChem CID16731843
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name5-[5-[(2S)-2-amino-3-phenylpropoxy]-3-pyridinyl]-1,3-dihydroindol-2-one
SMILESN[C@H](COc1cncc(-c2ccc3c(c2)CC(=O)N3)c1)Cc1ccccc1
InChIInChI=1S/C22H21N3O2/c23-19(8-15-4-2-1-3-5-15)14-27-20-10-18(12-24-13-20)16-6-7-21-17(9-16)11-22(26)25-21/h1-7,9-10,12-13,19H,8,11,14,23H2,(H,25,26)/t19-/m0/s1
InChIKeyIEKFJQOIRAQOSI-IBGZPJMESA-N
XLogP3.19
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(2S)-2-amino-3-phenylpropoxy]-3-pyridinyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[5-[(2S)-2-amino-3-phenylpropoxy]-3-pyridinyl]-1,3-dihydroindol-2-one (CID 16731843) is 5-[5-[(2S)-2-amino-3-phenylpropoxy]-3-pyridinyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[5-[(2S)-2-amino-3-phenylpropoxy]-3-pyridinyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[5-[(2S)-2-amino-3-phenylpropoxy]-3-pyridinyl]-1,3-dihydroindol-2-one is N[C@H](COc1cncc(-c2ccc3c(c2)CC(=O)N3)c1)Cc1ccccc1.
What is the InChIKey of 5-[5-[(2S)-2-amino-3-phenylpropoxy]-3-pyridinyl]-1,3-dihydroindol-2-one?
The InChIKey is IEKFJQOIRAQOSI-IBGZPJMESA-N. The full InChI is InChI=1S/C22H21N3O2/c23-19(8-15-4-2-1-3-5-15)14-27-20-10-18(12-24-13-20)16-6-7-21-17(9-16)11-22(26)25-21/h1-7,9-10,12-13,19H,8,11,14,23H2,(H,25,26)/t19-/m0/s1.
What are the key properties of 5-[5-[(2S)-2-amino-3-phenylpropoxy]-3-pyridinyl]-1,3-dihydroindol-2-one?
5-[5-[(2S)-2-amino-3-phenylpropoxy]-3-pyridinyl]-1,3-dihydroindol-2-one has a molecular weight of 359.43 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(2S)-2-amino-3-phenylpropoxy]-3-pyridinyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 16731843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).