N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-furo[2,3-c]pyridin-2-ylpropanamide

C22H25N3O3 — CID 76901650

IUPACN-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-furo[2,3-c]pyridin-2-ylpropanamide
SMILESO=C(CCc1cc2ccncc2o1)NC[C@@H](O)CN1CCc2ccccc2C1
InChIInChI=1S/C22H25N3O3/c26-19(15-25-10-8-16-3-1-2-4-18(16)14-25)12-24-22(27)6-5-20-11-17-7-9-23-13-21(17)28-20/h1-4,7,9,11,13,19,26H,5-6,8,10,12,14-15H2,(H,24,27)/t19-/m1/s1
InChIKeyVTJLFNIFGVKVDT-LJQANCHMSA-N
MW379.46 g/mol
LogP2.30
Rot. Bonds7

About N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-furo[2,3-c]pyridin-2-ylpropanamide

N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-furo[2,3-c]pyridin-2-ylpropanamide (PubChem CID 76901650) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-furo[2,3-c]pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-furo[2,3-c]pyridin-2-ylpropanamide
PubChem CID76901650
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-furo[2,3-c]pyridin-2-ylpropanamide
SMILESO=C(CCc1cc2ccncc2o1)NC[C@@H](O)CN1CCc2ccccc2C1
InChIInChI=1S/C22H25N3O3/c26-19(15-25-10-8-16-3-1-2-4-18(16)14-25)12-24-22(27)6-5-20-11-17-7-9-23-13-21(17)28-20/h1-4,7,9,11,13,19,26H,5-6,8,10,12,14-15H2,(H,24,27)/t19-/m1/s1
InChIKeyVTJLFNIFGVKVDT-LJQANCHMSA-N
XLogP2.30
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-furo[2,3-c]pyridin-2-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide
CID 76902793
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenoxyacetamide
CID 90328743
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide;ethane
CID 162114767
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide;ethane
CID 162114766
1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(pyridin-3-ylmethyl)urea
CID 110893301
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[4-(1-hydroxyethylamino)-3-pyridinyl]oxy]acetamide
CID 138482577
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(1H-imidazol-5-yl)phenoxy]acetamide
CID 123996935
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(1H-imidazol-2-yl)phenoxy]acetamide
CID 123469784
2-(1,3-benzodioxol-5-yl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide
CID 123282403
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;sulfane
CID 162003399
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-methoxyphenoxy)acetamide
CID 90328740
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxybutyl]pyridine-3-carboxamide
CID 131971608

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-furo[2,3-c]pyridin-2-ylpropanamide?
The IUPAC name of N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-furo[2,3-c]pyridin-2-ylpropanamide (CID 76901650) is N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-furo[2,3-c]pyridin-2-ylpropanamide.
What is the SMILES notation for N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-furo[2,3-c]pyridin-2-ylpropanamide?
The canonical SMILES for N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-furo[2,3-c]pyridin-2-ylpropanamide is O=C(CCc1cc2ccncc2o1)NC[C@@H](O)CN1CCc2ccccc2C1.
What is the InChIKey of N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-furo[2,3-c]pyridin-2-ylpropanamide?
The InChIKey is VTJLFNIFGVKVDT-LJQANCHMSA-N. The full InChI is InChI=1S/C22H25N3O3/c26-19(15-25-10-8-16-3-1-2-4-18(16)14-25)12-24-22(27)6-5-20-11-17-7-9-23-13-21(17)28-20/h1-4,7,9,11,13,19,26H,5-6,8,10,12,14-15H2,(H,24,27)/t19-/m1/s1.
What are the key properties of N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-furo[2,3-c]pyridin-2-ylpropanamide?
N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-furo[2,3-c]pyridin-2-ylpropanamide has a molecular weight of 379.46 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-furo[2,3-c]pyridin-2-ylpropanamide is sourced from PubChem (CID 76901650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).