N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride

C16H17ClFN3O2 — CID 120882309

IUPACN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride
SMILESCc1ccc(C(=O)Nc2ccc3c(c2F)CCNC3)c(=O)[nH]1.Cl
InChIInChI=1S/C16H16FN3O2.ClH/c1-9-2-4-12(15(21)19-9)16(22)20-13-5-3-10-8-18-7-6-11(10)14(13)17;/h2-5,18H,6-8H2,1H3,(H,19,21)(H,20,22);1H
InChIKeyCETQDRLABZRMSZ-UHFFFAOYSA-N
MW337.78 g/mol
LogP2.14
Rot. Bonds2

About N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride (PubChem CID 120882309) has the molecular formula C16H17ClFN3O2 and a molecular weight of 337.78 g/mol. Its IUPAC name is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride
PubChem CID120882309
Molecular FormulaC16H17ClFN3O2
Molecular Weight337.78 g/mol
Exact Mass337.10
IUPAC NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride
SMILESCc1ccc(C(=O)Nc2ccc3c(c2F)CCNC3)c(=O)[nH]1.Cl
InChIInChI=1S/C16H16FN3O2.ClH/c1-9-2-4-12(15(21)19-9)16(22)20-13-5-3-10-8-18-7-6-11(10)14(13)17;/h2-5,18H,6-8H2,1H3,(H,19,21)(H,20,22);1H
InChIKeyCETQDRLABZRMSZ-UHFFFAOYSA-N
XLogP2.14
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.78
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride with MolForge

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Related Compounds

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 120881693
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide;hydrochloride
CID 120881395
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2,5-dimethylbenzamide;hydrochloride
CID 120882587
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,5-dimethylpyrazole-4-carboxamide;hydrochloride
CID 120881889
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3,4-dimethylbenzamide
CID 120883840
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride
CID 120882169
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide
CID 120883642
2-ethoxy-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide;hydrochloride
CID 120883647
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methyl-5-methylsulfonylbenzamide
CID 120881076
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methyl-4-propan-2-ylpyrimidine-5-carboxamide;hydrochloride
CID 120882689
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-methoxy-5-methylthiophene-2-carboxamide;hydrochloride
CID 120881581
5-ethyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-methylthiophene-2-carboxamide;hydrochloride
CID 120883819

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride (CID 120882309) is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride is Cc1ccc(C(=O)Nc2ccc3c(c2F)CCNC3)c(=O)[nH]1.Cl.
What is the InChIKey of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride?
The InChIKey is CETQDRLABZRMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2.ClH/c1-9-2-4-12(15(21)19-9)16(22)20-13-5-3-10-8-18-7-6-11(10)14(13)17;/h2-5,18H,6-8H2,1H3,(H,19,21)(H,20,22);1H.
What are the key properties of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride?
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride has a molecular weight of 337.78 g/mol, XLogP of 2.14, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120882309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).