N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-pyridin-2-ylbenzamide

C24H25N3O2 — CID 76903259

IUPACN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-pyridin-2-ylbenzamide
SMILESO=C(NCC(O)CN1CCc2ccccc2C1)c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C24H25N3O2/c28-22(17-27-14-12-18-5-1-2-6-21(18)16-27)15-26-24(29)20-10-8-19(9-11-20)23-7-3-4-13-25-23/h1-11,13,22,28H,12,14-17H2,(H,26,29)
InChIKeyXUYADUJNHAMDAK-UHFFFAOYSA-N
MW387.48 g/mol
LogP2.90
Rot. Bonds6

About N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-pyridin-2-ylbenzamide

N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-pyridin-2-ylbenzamide (PubChem CID 76903259) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-pyridin-2-ylbenzamide.

Molecular Properties

Compound NameN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-pyridin-2-ylbenzamide
PubChem CID76903259
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC NameN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-pyridin-2-ylbenzamide
SMILESO=C(NCC(O)CN1CCc2ccccc2C1)c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C24H25N3O2/c28-22(17-27-14-12-18-5-1-2-6-21(18)16-27)15-26-24(29)20-10-8-19(9-11-20)23-7-3-4-13-25-23/h1-11,13,22,28H,12,14-17H2,(H,26,29)
InChIKeyXUYADUJNHAMDAK-UHFFFAOYSA-N
XLogP2.90
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-pyridin-2-ylbenzamide?
The IUPAC name of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-pyridin-2-ylbenzamide (CID 76903259) is N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-pyridin-2-ylbenzamide.
What is the SMILES notation for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-pyridin-2-ylbenzamide?
The canonical SMILES for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-pyridin-2-ylbenzamide is O=C(NCC(O)CN1CCc2ccccc2C1)c1ccc(-c2ccccn2)cc1.
What is the InChIKey of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-pyridin-2-ylbenzamide?
The InChIKey is XUYADUJNHAMDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c28-22(17-27-14-12-18-5-1-2-6-21(18)16-27)15-26-24(29)20-10-8-19(9-11-20)23-7-3-4-13-25-23/h1-11,13,22,28H,12,14-17H2,(H,26,29).
What are the key properties of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-pyridin-2-ylbenzamide?
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-pyridin-2-ylbenzamide has a molecular weight of 387.48 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-pyridin-2-ylbenzamide is sourced from PubChem (CID 76903259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).