N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-pyridin-2-ylbenzamide

C23H23N3O2 — CID 76902223

IUPACN-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-pyridin-2-ylbenzamide
SMILESO=C(NCC(O)CN1Cc2ccccc2C1)c1cccc(-c2ccccn2)c1
InChIInChI=1S/C23H23N3O2/c27-21(16-26-14-19-6-1-2-7-20(19)15-26)13-25-23(28)18-9-5-8-17(12-18)22-10-3-4-11-24-22/h1-12,21,27H,13-16H2,(H,25,28)
InChIKeyXTOPAEURHUZXCJ-UHFFFAOYSA-N
MW373.46 g/mol
LogP2.86
Rot. Bonds6

About N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-pyridin-2-ylbenzamide

N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-pyridin-2-ylbenzamide (PubChem CID 76902223) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-pyridin-2-ylbenzamide.

Molecular Properties

Compound NameN-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-pyridin-2-ylbenzamide
PubChem CID76902223
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC NameN-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-pyridin-2-ylbenzamide
SMILESO=C(NCC(O)CN1Cc2ccccc2C1)c1cccc(-c2ccccn2)c1
InChIInChI=1S/C23H23N3O2/c27-21(16-26-14-19-6-1-2-7-20(19)15-26)13-25-23(28)18-9-5-8-17(12-18)22-10-3-4-11-24-22/h1-12,21,27H,13-16H2,(H,25,28)
InChIKeyXTOPAEURHUZXCJ-UHFFFAOYSA-N
XLogP2.86
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-pyridin-2-ylbenzamide?
The IUPAC name of N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-pyridin-2-ylbenzamide (CID 76902223) is N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-pyridin-2-ylbenzamide.
What is the SMILES notation for N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-pyridin-2-ylbenzamide?
The canonical SMILES for N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-pyridin-2-ylbenzamide is O=C(NCC(O)CN1Cc2ccccc2C1)c1cccc(-c2ccccn2)c1.
What is the InChIKey of N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-pyridin-2-ylbenzamide?
The InChIKey is XTOPAEURHUZXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c27-21(16-26-14-19-6-1-2-7-20(19)15-26)13-25-23(28)18-9-5-8-17(12-18)22-10-3-4-11-24-22/h1-12,21,27H,13-16H2,(H,25,28).
What are the key properties of N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-pyridin-2-ylbenzamide?
N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-pyridin-2-ylbenzamide has a molecular weight of 373.46 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-pyridin-2-ylbenzamide is sourced from PubChem (CID 76902223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).