(2S)-N-benzyl-2-(4-isoquinolin-4-yl-3,6-dihydro-2H-pyridin-1-yl)propanamide

C24H25N3O — CID 97352772

IUPAC(2S)-N-benzyl-2-(4-isoquinolin-4-yl-3,6-dihydro-2H-pyridin-1-yl)propanamide
SMILESC[C@@H](C(=O)NCc1ccccc1)N1CC=C(c2cncc3ccccc23)CC1
InChIInChI=1S/C24H25N3O/c1-18(24(28)26-15-19-7-3-2-4-8-19)27-13-11-20(12-14-27)23-17-25-16-21-9-5-6-10-22(21)23/h2-11,16-18H,12-15H2,1H3,(H,26,28)/t18-/m0/s1
InChIKeyCMJSHDVXGXRONN-SFHVURJKSA-N
MW371.48 g/mol
LogP4.03
Rot. Bonds5

About (2S)-N-benzyl-2-(4-isoquinolin-4-yl-3,6-dihydro-2H-pyridin-1-yl)propanamide

(2S)-N-benzyl-2-(4-isoquinolin-4-yl-3,6-dihydro-2H-pyridin-1-yl)propanamide (PubChem CID 97352772) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is (2S)-N-benzyl-2-(4-isoquinolin-4-yl-3,6-dihydro-2H-pyridin-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-benzyl-2-(4-isoquinolin-4-yl-3,6-dihydro-2H-pyridin-1-yl)propanamide
PubChem CID97352772
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Name(2S)-N-benzyl-2-(4-isoquinolin-4-yl-3,6-dihydro-2H-pyridin-1-yl)propanamide
SMILESC[C@@H](C(=O)NCc1ccccc1)N1CC=C(c2cncc3ccccc23)CC1
InChIInChI=1S/C24H25N3O/c1-18(24(28)26-15-19-7-3-2-4-8-19)27-13-11-20(12-14-27)23-17-25-16-21-9-5-6-10-22(21)23/h2-11,16-18H,12-15H2,1H3,(H,26,28)/t18-/m0/s1
InChIKeyCMJSHDVXGXRONN-SFHVURJKSA-N
XLogP4.03
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 4786224
(2S)-2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-propylpropanamide
CID 39998320
N-hydroxy-2-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)-2-phenylacetamide
CID 145487518
1-[1-(benzylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride
CID 119906793
N-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 110877703
(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methylphenyl)methyl]propanamide
CID 9248441
2-(2-azaspiro[4.4]nonan-2-yl)-N-benzylpropanamide
CID 91843313
(2S)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide
CID 9495218
(2S)-N-benzyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9266113
(2R)-N-benzyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 9266116
(2S)-N-(benzylcarbamoyl)-2-(4-methylpiperazin-1-yl)propanamide
CID 9250096
(2S)-N-benzyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide
CID 2471637

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-2-(4-isoquinolin-4-yl-3,6-dihydro-2H-pyridin-1-yl)propanamide?
The IUPAC name of (2S)-N-benzyl-2-(4-isoquinolin-4-yl-3,6-dihydro-2H-pyridin-1-yl)propanamide (CID 97352772) is (2S)-N-benzyl-2-(4-isoquinolin-4-yl-3,6-dihydro-2H-pyridin-1-yl)propanamide.
What is the SMILES notation for (2S)-N-benzyl-2-(4-isoquinolin-4-yl-3,6-dihydro-2H-pyridin-1-yl)propanamide?
The canonical SMILES for (2S)-N-benzyl-2-(4-isoquinolin-4-yl-3,6-dihydro-2H-pyridin-1-yl)propanamide is C[C@@H](C(=O)NCc1ccccc1)N1CC=C(c2cncc3ccccc23)CC1.
What is the InChIKey of (2S)-N-benzyl-2-(4-isoquinolin-4-yl-3,6-dihydro-2H-pyridin-1-yl)propanamide?
The InChIKey is CMJSHDVXGXRONN-SFHVURJKSA-N. The full InChI is InChI=1S/C24H25N3O/c1-18(24(28)26-15-19-7-3-2-4-8-19)27-13-11-20(12-14-27)23-17-25-16-21-9-5-6-10-22(21)23/h2-11,16-18H,12-15H2,1H3,(H,26,28)/t18-/m0/s1.
What are the key properties of (2S)-N-benzyl-2-(4-isoquinolin-4-yl-3,6-dihydro-2H-pyridin-1-yl)propanamide?
(2S)-N-benzyl-2-(4-isoquinolin-4-yl-3,6-dihydro-2H-pyridin-1-yl)propanamide has a molecular weight of 371.48 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-2-(4-isoquinolin-4-yl-3,6-dihydro-2H-pyridin-1-yl)propanamide is sourced from PubChem (CID 97352772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).