6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-(2-hydroxyethyl)pyridine-2-carboxamide

C19H23N3O2 — CID 84570606

IUPAC6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
SMILESCCN(CCO)C(=O)c1cccc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C19H23N3O2/c1-2-21(12-13-23)19(24)17-8-5-9-18(20-17)22-11-10-15-6-3-4-7-16(15)14-22/h3-9,23H,2,10-14H2,1H3
InChIKeyRWTJIGTWGZHCTO-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.10
Rot. Bonds5

About 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-(2-hydroxyethyl)pyridine-2-carboxamide

6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-(2-hydroxyethyl)pyridine-2-carboxamide (PubChem CID 84570606) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-(2-hydroxyethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
PubChem CID84570606
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
SMILESCCN(CCO)C(=O)c1cccc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C19H23N3O2/c1-2-21(12-13-23)19(24)17-8-5-9-18(20-17)22-11-10-15-6-3-4-7-16(15)14-22/h3-9,23H,2,10-14H2,1H3
InChIKeyRWTJIGTWGZHCTO-UHFFFAOYSA-N
XLogP2.10
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-(2-hydroxyethyl)pyridine-2-carboxamide 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-ethyl-N-(2-hydroxyethyl)-6-piperidin-1-ylpyridine-2-carboxamide
CID 84575190
N-benzyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethylpyrazine-2-carboxamide
CID 109282732
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-formamidopropyl)pyridine-2-carboxamide
CID 84570614
[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 84570572
N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-6-methylpyrimidine-4-carboxamide
CID 109329545
methyl 6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazine-2-carboxylate
CID 66457745
N-[2-(diethylamino)ethyl]-4-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxamide
CID 56877383
N-butyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyridazine-3-carboxamide
CID 109121746
N-ethyl-6-hydrazinyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 62237151
2-(6-chloro-2-pyridinyl)-3,4-dihydro-1H-isoquinoline
CID 53408781
2-(2,3-dihydroindol-1-yl)-N-ethyl-N-(2-hydroxyethyl)-2-oxoacetamide
CID 108525186
[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-pyridinyl]methanol
CID 79884530

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-(2-hydroxyethyl)pyridine-2-carboxamide?
The IUPAC name of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-(2-hydroxyethyl)pyridine-2-carboxamide (CID 84570606) is 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-(2-hydroxyethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-(2-hydroxyethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-(2-hydroxyethyl)pyridine-2-carboxamide is CCN(CCO)C(=O)c1cccc(N2CCc3ccccc3C2)n1.
What is the InChIKey of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-(2-hydroxyethyl)pyridine-2-carboxamide?
The InChIKey is RWTJIGTWGZHCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-2-21(12-13-23)19(24)17-8-5-9-18(20-17)22-11-10-15-6-3-4-7-16(15)14-22/h3-9,23H,2,10-14H2,1H3.
What are the key properties of 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-(2-hydroxyethyl)pyridine-2-carboxamide?
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-(2-hydroxyethyl)pyridine-2-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-(2-hydroxyethyl)pyridine-2-carboxamide is sourced from PubChem (CID 84570606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).