5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethoxyphenyl)pyridine-2-carboxamide

C23H23N3O2 — CID 109192118

IUPAC5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethoxyphenyl)pyridine-2-carboxamide
SMILESCCOc1ccccc1NC(=O)c1ccc(N2CCc3ccccc3C2)cn1
InChIInChI=1S/C23H23N3O2/c1-2-28-22-10-6-5-9-20(22)25-23(27)21-12-11-19(15-24-21)26-14-13-17-7-3-4-8-18(17)16-26/h3-12,15H,2,13-14,16H2,1H3,(H,25,27)
InChIKeyCCQNGPKUXMCAJF-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.30
Rot. Bonds5

About 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethoxyphenyl)pyridine-2-carboxamide

5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethoxyphenyl)pyridine-2-carboxamide (PubChem CID 109192118) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethoxyphenyl)pyridine-2-carboxamide
PubChem CID109192118
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethoxyphenyl)pyridine-2-carboxamide
SMILESCCOc1ccccc1NC(=O)c1ccc(N2CCc3ccccc3C2)cn1
InChIInChI=1S/C23H23N3O2/c1-2-28-22-10-6-5-9-20(22)25-23(27)21-12-11-19(15-24-21)26-14-13-17-7-3-4-8-18(17)16-26/h3-12,15H,2,13-14,16H2,1H3,(H,25,27)
InChIKeyCCQNGPKUXMCAJF-UHFFFAOYSA-N
XLogP4.30
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,3-dihydroindol-1-yl)-N-(2-ethoxyphenyl)pyridine-2-carboxamide
CID 109197830
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-propylpyridine-2-carboxamide
CID 109179080
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109192088
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181044
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2-ethoxyphenyl)benzamide
CID 2273251
N-(2-ethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 6469538
5-(4-ethylpiperazin-1-yl)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109186854
5-(2,3-dihydroindol-1-yl)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109197827
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109192073
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109192060
2-(2,3-dihydroindol-1-yl)-N-(2-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109314411
1-[5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-2-pyridinyl]ethanone
CID 83118609

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethoxyphenyl)pyridine-2-carboxamide (CID 109192118) is 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethoxyphenyl)pyridine-2-carboxamide is CCOc1ccccc1NC(=O)c1ccc(N2CCc3ccccc3C2)cn1.
What is the InChIKey of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethoxyphenyl)pyridine-2-carboxamide?
The InChIKey is CCQNGPKUXMCAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-2-28-22-10-6-5-9-20(22)25-23(27)21-12-11-19(15-24-21)26-14-13-17-7-3-4-8-18(17)16-26/h3-12,15H,2,13-14,16H2,1H3,(H,25,27).
What are the key properties of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethoxyphenyl)pyridine-2-carboxamide?
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethoxyphenyl)pyridine-2-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109192118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).