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

C21H18FN3O — CID 109213889

IUPAC4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc(N2CCc3ccccc3C2)ccn1
InChIInChI=1S/C21H18FN3O/c22-17-5-7-18(8-6-17)24-21(26)20-13-19(9-11-23-20)25-12-10-15-3-1-2-4-16(15)14-25/h1-9,11,13H,10,12,14H2,(H,24,26)
InChIKeyYGUISZBVTMMNAS-UHFFFAOYSA-N
MW347.39 g/mol
LogP4.04
Rot. Bonds3

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

4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)pyridine-2-carboxamide (PubChem CID 109213889) has the molecular formula C21H18FN3O and a molecular weight of 347.39 g/mol. Its IUPAC name is 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)pyridine-2-carboxamide
PubChem CID109213889
Molecular FormulaC21H18FN3O
Molecular Weight347.39 g/mol
Exact Mass347.14
IUPAC Name4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc(N2CCc3ccccc3C2)ccn1
InChIInChI=1S/C21H18FN3O/c22-17-5-7-18(8-6-17)24-21(26)20-13-19(9-11-23-20)25-12-10-15-3-1-2-4-16(15)14-25/h1-9,11,13H,10,12,14H2,(H,24,26)
InChIKeyYGUISZBVTMMNAS-UHFFFAOYSA-N
XLogP4.04
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxamide
CID 109213897
N-(2,4-difluorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxamide
CID 109213927
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)pyridine-2-carboxamide
CID 109213884
N-(4-acetamidophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4-carboxamide
CID 109350716
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109192088
N-(4-chlorophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4-carboxamide
CID 109350691
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-pentylpyridine-2-carboxamide
CID 109213863
6-(2,3-dihydroindol-1-yl)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 46179343
N-[2-(diethylamino)ethyl]-4-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxamide
CID 56877383
2-(2,3-dihydroindole-1-carbonyl)-N-(4-fluorophenyl)pyridine-4-carboxamide
CID 109091604
N-(4-cyanophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4-carboxamide
CID 109350736
N-(3-chloro-4-fluorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-4-carboxamide
CID 109172428

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)pyridine-2-carboxamide (CID 109213889) is 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)pyridine-2-carboxamide is O=C(Nc1ccc(F)cc1)c1cc(N2CCc3ccccc3C2)ccn1.
What is the InChIKey of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)pyridine-2-carboxamide?
The InChIKey is YGUISZBVTMMNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O/c22-17-5-7-18(8-6-17)24-21(26)20-13-19(9-11-23-20)25-12-10-15-3-1-2-4-16(15)14-25/h1-9,11,13H,10,12,14H2,(H,24,26).
What are the key properties of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)pyridine-2-carboxamide?
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)pyridine-2-carboxamide has a molecular weight of 347.39 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109213889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).