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

C18H21N3O — CID 109179080

IUPAC5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-propylpyridine-2-carboxamide
SMILESCCCNC(=O)c1ccc(N2CCc3ccccc3C2)cn1
InChIInChI=1S/C18H21N3O/c1-2-10-19-18(22)17-8-7-16(12-20-17)21-11-9-14-5-3-4-6-15(14)13-21/h3-8,12H,2,9-11,13H2,1H3,(H,19,22)
InChIKeyCWCBUBLOHUHATK-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.78
Rot. Bonds4

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

5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-propylpyridine-2-carboxamide (PubChem CID 109179080) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-propylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-propylpyridine-2-carboxamide
PubChem CID109179080
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-propylpyridine-2-carboxamide
SMILESCCCNC(=O)c1ccc(N2CCc3ccccc3C2)cn1
InChIInChI=1S/C18H21N3O/c1-2-10-19-18(22)17-8-7-16(12-20-17)21-11-9-14-5-3-4-6-15(14)13-21/h3-8,12H,2,9-11,13H2,1H3,(H,19,22)
InChIKeyCWCBUBLOHUHATK-UHFFFAOYSA-N
XLogP2.78
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181044
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109192073
5-(4-phenylpiperazin-1-yl)-N-propylpyridine-2-carboxamide
CID 109179090
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-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethoxyphenyl)pyridine-2-carboxamide
CID 109192118
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109192088
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-pentylpyridine-2-carboxamide
CID 109213863
N'-[2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethyl]-N-propyloxamide
CID 16891220
1-[4-[5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109187230
1-[5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-2-pyridinyl]ethanone
CID 83118609
N-butyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4-carboxamide
CID 109340038

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-propylpyridine-2-carboxamide?
The IUPAC name of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-propylpyridine-2-carboxamide (CID 109179080) is 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-propylpyridine-2-carboxamide.
What is the SMILES notation for 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-propylpyridine-2-carboxamide?
The canonical SMILES for 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-propylpyridine-2-carboxamide is CCCNC(=O)c1ccc(N2CCc3ccccc3C2)cn1.
What is the InChIKey of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-propylpyridine-2-carboxamide?
The InChIKey is CWCBUBLOHUHATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-2-10-19-18(22)17-8-7-16(12-20-17)21-11-9-14-5-3-4-6-15(14)13-21/h3-8,12H,2,9-11,13H2,1H3,(H,19,22).
What are the key properties of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-propylpyridine-2-carboxamide?
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-propylpyridine-2-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 2.78, 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-propylpyridine-2-carboxamide is sourced from PubChem (CID 109179080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).