[2-[[2-(3-chlorophenyl)-2-hydroxypropyl]amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone

C23H22ClN3O2 — CID 133473178

IUPAC[2-[[2-(3-chlorophenyl)-2-hydroxypropyl]amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
SMILESCC(O)(CNc1ncccc1C(=O)N1CCc2ccccc21)c1cccc(Cl)c1
InChIInChI=1S/C23H22ClN3O2/c1-23(29,17-7-4-8-18(24)14-17)15-26-21-19(9-5-12-25-21)22(28)27-13-11-16-6-2-3-10-20(16)27/h2-10,12,14,29H,11,13,15H2,1H3,(H,25,26)
InChIKeyRYHBZZCGLTWBLD-UHFFFAOYSA-N
MW407.90 g/mol
LogP4.26
Rot. Bonds5

About [2-[[2-(3-chlorophenyl)-2-hydroxypropyl]amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone

[2-[[2-(3-chlorophenyl)-2-hydroxypropyl]amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone (PubChem CID 133473178) has the molecular formula C23H22ClN3O2 and a molecular weight of 407.90 g/mol. Its IUPAC name is [2-[[2-(3-chlorophenyl)-2-hydroxypropyl]amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[2-[[2-(3-chlorophenyl)-2-hydroxypropyl]amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
PubChem CID133473178
Molecular FormulaC23H22ClN3O2
Molecular Weight407.90 g/mol
Exact Mass407.14
IUPAC Name[2-[[2-(3-chlorophenyl)-2-hydroxypropyl]amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
SMILESCC(O)(CNc1ncccc1C(=O)N1CCc2ccccc21)c1cccc(Cl)c1
InChIInChI=1S/C23H22ClN3O2/c1-23(29,17-7-4-8-18(24)14-17)15-26-21-19(9-5-12-25-21)22(28)27-13-11-16-6-2-3-10-20(16)27/h2-10,12,14,29H,11,13,15H2,1H3,(H,25,26)
InChIKeyRYHBZZCGLTWBLD-UHFFFAOYSA-N
XLogP4.26
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.90
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[[2-(3-chlorophenyl)-2-hydroxypropyl]amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [2-[[2-(3-chlorophenyl)-2-hydroxypropyl]amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone (CID 133473178) is [2-[[2-(3-chlorophenyl)-2-hydroxypropyl]amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [2-[[2-(3-chlorophenyl)-2-hydroxypropyl]amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [2-[[2-(3-chlorophenyl)-2-hydroxypropyl]amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone is CC(O)(CNc1ncccc1C(=O)N1CCc2ccccc21)c1cccc(Cl)c1.
What is the InChIKey of [2-[[2-(3-chlorophenyl)-2-hydroxypropyl]amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is RYHBZZCGLTWBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O2/c1-23(29,17-7-4-8-18(24)14-17)15-26-21-19(9-5-12-25-21)22(28)27-13-11-16-6-2-3-10-20(16)27/h2-10,12,14,29H,11,13,15H2,1H3,(H,25,26).
What are the key properties of [2-[[2-(3-chlorophenyl)-2-hydroxypropyl]amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone?
[2-[[2-(3-chlorophenyl)-2-hydroxypropyl]amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 407.90 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(3-chlorophenyl)-2-hydroxypropyl]amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 133473178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).