2-(dimethylamino)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)pyridine-4-carboxamide;dihydrochloride

C17H21Cl2FN4O — CID 120881367

IUPAC2-(dimethylamino)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)pyridine-4-carboxamide;dihydrochloride
SMILESCN(C)c1cc(C(=O)Nc2ccc3c(c2F)CCNC3)ccn1.Cl.Cl
InChIInChI=1S/C17H19FN4O.2ClH/c1-22(2)15-9-11(5-8-20-15)17(23)21-14-4-3-12-10-19-7-6-13(12)16(14)18;;/h3-5,8-9,19H,6-7,10H2,1-2H3,(H,21,23);2*1H
InChIKeyYPMLSVWVJSAKTJ-UHFFFAOYSA-N
MW387.29 g/mol
LogP3.03
Rot. Bonds3

About 2-(dimethylamino)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)pyridine-4-carboxamide;dihydrochloride

2-(dimethylamino)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)pyridine-4-carboxamide;dihydrochloride (PubChem CID 120881367) has the molecular formula C17H21Cl2FN4O and a molecular weight of 387.29 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)pyridine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(dimethylamino)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)pyridine-4-carboxamide;dihydrochloride
PubChem CID120881367
Molecular FormulaC17H21Cl2FN4O
Molecular Weight387.29 g/mol
Exact Mass386.11
IUPAC Name2-(dimethylamino)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)pyridine-4-carboxamide;dihydrochloride
SMILESCN(C)c1cc(C(=O)Nc2ccc3c(c2F)CCNC3)ccn1.Cl.Cl
InChIInChI=1S/C17H19FN4O.2ClH/c1-22(2)15-9-11(5-8-20-15)17(23)21-14-4-3-12-10-19-7-6-13(12)16(14)18;;/h3-5,8-9,19H,6-7,10H2,1-2H3,(H,21,23);2*1H
InChIKeyYPMLSVWVJSAKTJ-UHFFFAOYSA-N
XLogP3.03
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.29
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3,4-dimethylbenzamide
CID 120883840
3,5-diacetamido-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide
CID 120881524
3-N-(2,2-dimethylpropyl)-1-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-N-methylbenzene-1,3-dicarboxamide;hydrochloride
CID 120883477
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-(2-methylpropoxy)benzamide;hydrochloride
CID 120882789
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-propan-2-ylbenzamide
CID 120881766
3-ethoxy-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-propoxybenzamide;hydrochloride
CID 120881103
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2,5-dimethylbenzamide;hydrochloride
CID 120882587
3-fluoro-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-pyrazol-1-ylbenzamide
CID 126809638
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 120883212
4-fluoro-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(methylsulfanylmethyl)benzamide
CID 120883476
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(propan-2-ylcarbamoylamino)benzamide;hydrochloride
CID 120882547
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 120881042

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)pyridine-4-carboxamide;dihydrochloride?
The IUPAC name of 2-(dimethylamino)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)pyridine-4-carboxamide;dihydrochloride (CID 120881367) is 2-(dimethylamino)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)pyridine-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(dimethylamino)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)pyridine-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-(dimethylamino)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)pyridine-4-carboxamide;dihydrochloride is CN(C)c1cc(C(=O)Nc2ccc3c(c2F)CCNC3)ccn1.Cl.Cl.
What is the InChIKey of 2-(dimethylamino)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)pyridine-4-carboxamide;dihydrochloride?
The InChIKey is YPMLSVWVJSAKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O.2ClH/c1-22(2)15-9-11(5-8-20-15)17(23)21-14-4-3-12-10-19-7-6-13(12)16(14)18;;/h3-5,8-9,19H,6-7,10H2,1-2H3,(H,21,23);2*1H.
What are the key properties of 2-(dimethylamino)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)pyridine-4-carboxamide;dihydrochloride?
2-(dimethylamino)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)pyridine-4-carboxamide;dihydrochloride has a molecular weight of 387.29 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)pyridine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120881367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).