(2R)-N-[(3R)-1-cyclopropyl-2-oxopyrrolidin-3-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide

C19H25N3O2 — CID 97063673

IUPAC(2R)-N-[(3R)-1-cyclopropyl-2-oxopyrrolidin-3-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
SMILESC[C@H](C(=O)N[C@@H]1CCN(C2CC2)C1=O)N1CCc2ccccc2C1
InChIInChI=1S/C19H25N3O2/c1-13(21-10-8-14-4-2-3-5-15(14)12-21)18(23)20-17-9-11-22(19(17)24)16-6-7-16/h2-5,13,16-17H,6-12H2,1H3,(H,20,23)/t13-,17-/m1/s1
InChIKeyOJFPKDYLSKNJIF-CXAGYDPISA-N
MW327.43 g/mol
LogP1.31
Rot. Bonds4

About (2R)-N-[(3R)-1-cyclopropyl-2-oxopyrrolidin-3-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide

(2R)-N-[(3R)-1-cyclopropyl-2-oxopyrrolidin-3-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide (PubChem CID 97063673) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is (2R)-N-[(3R)-1-cyclopropyl-2-oxopyrrolidin-3-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-[(3R)-1-cyclopropyl-2-oxopyrrolidin-3-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
PubChem CID97063673
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name(2R)-N-[(3R)-1-cyclopropyl-2-oxopyrrolidin-3-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
SMILESC[C@H](C(=O)N[C@@H]1CCN(C2CC2)C1=O)N1CCc2ccccc2C1
InChIInChI=1S/C19H25N3O2/c1-13(21-10-8-14-4-2-3-5-15(14)12-21)18(23)20-17-9-11-22(19(17)24)16-6-7-16/h2-5,13,16-17H,6-12H2,1H3,(H,20,23)/t13-,17-/m1/s1
InChIKeyOJFPKDYLSKNJIF-CXAGYDPISA-N
XLogP1.31
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 4781124
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(thian-4-yl)propanamide
CID 56786129
(2R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 32718919
methyl (3R)-3-[[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]amino]piperidine-1-carboxylate
CID 96516984
N-(4-bromophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 4818280
(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]propanamide
CID 96516852
methyl (2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoate
CID 51886799
N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 4786224
(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methylphenyl)methyl]propanamide
CID 9248441
(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 9248457
(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide
CID 95980822
(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]propanamide
CID 95765302

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3R)-1-cyclopropyl-2-oxopyrrolidin-3-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide?
The IUPAC name of (2R)-N-[(3R)-1-cyclopropyl-2-oxopyrrolidin-3-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide (CID 97063673) is (2R)-N-[(3R)-1-cyclopropyl-2-oxopyrrolidin-3-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide.
What is the SMILES notation for (2R)-N-[(3R)-1-cyclopropyl-2-oxopyrrolidin-3-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide?
The canonical SMILES for (2R)-N-[(3R)-1-cyclopropyl-2-oxopyrrolidin-3-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide is C[C@H](C(=O)N[C@@H]1CCN(C2CC2)C1=O)N1CCc2ccccc2C1.
What is the InChIKey of (2R)-N-[(3R)-1-cyclopropyl-2-oxopyrrolidin-3-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide?
The InChIKey is OJFPKDYLSKNJIF-CXAGYDPISA-N. The full InChI is InChI=1S/C19H25N3O2/c1-13(21-10-8-14-4-2-3-5-15(14)12-21)18(23)20-17-9-11-22(19(17)24)16-6-7-16/h2-5,13,16-17H,6-12H2,1H3,(H,20,23)/t13-,17-/m1/s1.
What are the key properties of (2R)-N-[(3R)-1-cyclopropyl-2-oxopyrrolidin-3-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide?
(2R)-N-[(3R)-1-cyclopropyl-2-oxopyrrolidin-3-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide has a molecular weight of 327.43 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3R)-1-cyclopropyl-2-oxopyrrolidin-3-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide is sourced from PubChem (CID 97063673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).