N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide;dihydrochloride

C20H23Cl2FN4O2 — CID 120881987

IUPACN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide;dihydrochloride
SMILESCN1C(=O)CC(C(=O)Nc2ccc3c(c2F)CCNC3)C1c1cccnc1.Cl.Cl
InChIInChI=1S/C20H21FN4O2.2ClH/c1-25-17(26)9-15(19(25)13-3-2-7-22-11-13)20(27)24-16-5-4-12-10-23-8-6-14(12)18(16)21;;/h2-5,7,11,15,19,23H,6,8-10H2,1H3,(H,24,27);2*1H
InChIKeyCBNWCYMLLVEFTG-UHFFFAOYSA-N
MW441.33 g/mol
LogP2.87
Rot. Bonds3

About N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide;dihydrochloride

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide;dihydrochloride (PubChem CID 120881987) has the molecular formula C20H23Cl2FN4O2 and a molecular weight of 441.33 g/mol. Its IUPAC name is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide;dihydrochloride
PubChem CID120881987
Molecular FormulaC20H23Cl2FN4O2
Molecular Weight441.33 g/mol
Exact Mass440.12
IUPAC NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide;dihydrochloride
SMILESCN1C(=O)CC(C(=O)Nc2ccc3c(c2F)CCNC3)C1c1cccnc1.Cl.Cl
InChIInChI=1S/C20H21FN4O2.2ClH/c1-25-17(26)9-15(19(25)13-3-2-7-22-11-13)20(27)24-16-5-4-12-10-23-8-6-14(12)18(16)21;;/h2-5,7,11,15,19,23H,6,8-10H2,1H3,(H,24,27);2*1H
InChIKeyCBNWCYMLLVEFTG-UHFFFAOYSA-N
XLogP2.87
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.33
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide;dihydrochloride 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

(2S,3S)-N-(4-chloro-2-fluorophenyl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 95326972
(2S,3S)-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 124505381
methyl (3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylate
CID 58291565
(2R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid;(3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 160516256
(2R,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 671219
(2S,3R)-N-(3-chlorophenyl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 95346327
2-[(1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 119348829
(2S,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 98005945
(2R,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 16744276
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methylpiperidine-4-carboxamide
CID 120882858
1-tert-butyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120882525
(2R,3R)-N-(4-ethyl-1,3-thiazol-2-yl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 95967290

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide;dihydrochloride (CID 120881987) is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide;dihydrochloride is CN1C(=O)CC(C(=O)Nc2ccc3c(c2F)CCNC3)C1c1cccnc1.Cl.Cl.
What is the InChIKey of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide;dihydrochloride?
The InChIKey is CBNWCYMLLVEFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2.2ClH/c1-25-17(26)9-15(19(25)13-3-2-7-22-11-13)20(27)24-16-5-4-12-10-23-8-6-14(12)18(16)21;;/h2-5,7,11,15,19,23H,6,8-10H2,1H3,(H,24,27);2*1H.
What are the key properties of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide;dihydrochloride?
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide;dihydrochloride has a molecular weight of 441.33 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 120881987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).