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

C19H23N3O — CID 109181044

IUPAC5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)pyridine-2-carboxamide
SMILESCC(C)CNC(=O)c1ccc(N2CCc3ccccc3C2)cn1
InChIInChI=1S/C19H23N3O/c1-14(2)11-21-19(23)18-8-7-17(12-20-18)22-10-9-15-5-3-4-6-16(15)13-22/h3-8,12,14H,9-11,13H2,1-2H3,(H,21,23)
InChIKeyZOADMIJKUNAKOV-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.03
Rot. Bonds4

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

5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)pyridine-2-carboxamide (PubChem CID 109181044) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)pyridine-2-carboxamide
PubChem CID109181044
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)pyridine-2-carboxamide
SMILESCC(C)CNC(=O)c1ccc(N2CCc3ccccc3C2)cn1
InChIInChI=1S/C19H23N3O/c1-14(2)11-21-19(23)18-8-7-17(12-20-18)22-10-9-15-5-3-4-6-16(15)13-22/h3-8,12,14H,9-11,13H2,1-2H3,(H,21,23)
InChIKeyZOADMIJKUNAKOV-UHFFFAOYSA-N
XLogP3.03
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-propylpyridine-2-carboxamide
CID 109179080
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-(4-methylphenyl)pyridine-2-carboxamide
CID 109192088
1-[4-[5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109187230
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethoxyphenyl)pyridine-2-carboxamide
CID 109192118
N-[2-(cyclohexen-1-yl)ethyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxamide
CID 109183628
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109192060
5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181067
1-[5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-2-pyridinyl]ethanone
CID 83118609
1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]ethanol
CID 83132282
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109192147
1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-N-ethylethanamine
CID 83111170

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)pyridine-2-carboxamide?
The IUPAC name of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)pyridine-2-carboxamide (CID 109181044) is 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)pyridine-2-carboxamide is CC(C)CNC(=O)c1ccc(N2CCc3ccccc3C2)cn1.
What is the InChIKey of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)pyridine-2-carboxamide?
The InChIKey is ZOADMIJKUNAKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-14(2)11-21-19(23)18-8-7-17(12-20-18)22-10-9-15-5-3-4-6-16(15)13-22/h3-8,12,14H,9-11,13H2,1-2H3,(H,21,23).
What are the key properties of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)pyridine-2-carboxamide?
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)pyridine-2-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 109181044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).