7-fluoro-N-(1-pyridin-2-ylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

C17H18FN3O — CID 126778493

IUPAC7-fluoro-N-(1-pyridin-2-ylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCC(NC(=O)N1CCc2ccc(F)cc2C1)c1ccccn1
InChIInChI=1S/C17H18FN3O/c1-12(16-4-2-3-8-19-16)20-17(22)21-9-7-13-5-6-15(18)10-14(13)11-21/h2-6,8,10,12H,7,9,11H2,1H3,(H,20,22)
InChIKeyFVQSZJVZJIJVMH-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.05
Rot. Bonds2

About 7-fluoro-N-(1-pyridin-2-ylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

7-fluoro-N-(1-pyridin-2-ylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 126778493) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is 7-fluoro-N-(1-pyridin-2-ylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-(1-pyridin-2-ylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID126778493
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Name7-fluoro-N-(1-pyridin-2-ylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCC(NC(=O)N1CCc2ccc(F)cc2C1)c1ccccn1
InChIInChI=1S/C17H18FN3O/c1-12(16-4-2-3-8-19-16)20-17(22)21-9-7-13-5-6-15(18)10-14(13)11-21/h2-6,8,10,12H,7,9,11H2,1H3,(H,20,22)
InChIKeyFVQSZJVZJIJVMH-UHFFFAOYSA-N
XLogP3.05
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-fluoro-N-(1-pyridin-2-ylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide with MolForge

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Related Compounds

N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-7-fluoro-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 126793713
N-(1-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 113221669
4-(3-fluoro-2-pyridinyl)-N-(1-pyridin-2-ylethyl)piperazine-1-carboxamide
CID 146123535
1-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropan-1-one
CID 165136223
4-methyl-N-(1-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 113223974
4-[2-(4-fluoroanilino)-2-oxoethyl]-N-(1-pyridin-2-ylethyl)piperazine-1-carboxamide
CID 55590669
N-(1-phenylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 3722367
N-[1-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-2-phenoxyacetamide
CID 166180934
1-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-(methylamino)ethanone;hydrochloride
CID 120705217
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(1R)-1-pyridin-2-ylethyl]urea
CID 33431970
N-[(1S)-1-pyridin-2-ylethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999250
2-[1-(1-pyridin-2-ylethylcarbamoyl)azetidin-3-yl]acetic acid
CID 64618419

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-(1-pyridin-2-ylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of 7-fluoro-N-(1-pyridin-2-ylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 126778493) is 7-fluoro-N-(1-pyridin-2-ylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for 7-fluoro-N-(1-pyridin-2-ylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for 7-fluoro-N-(1-pyridin-2-ylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is CC(NC(=O)N1CCc2ccc(F)cc2C1)c1ccccn1.
What is the InChIKey of 7-fluoro-N-(1-pyridin-2-ylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is FVQSZJVZJIJVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O/c1-12(16-4-2-3-8-19-16)20-17(22)21-9-7-13-5-6-15(18)10-14(13)11-21/h2-6,8,10,12H,7,9,11H2,1H3,(H,20,22).
What are the key properties of 7-fluoro-N-(1-pyridin-2-ylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
7-fluoro-N-(1-pyridin-2-ylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 299.35 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-(1-pyridin-2-ylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 126778493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).