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

C21H17F2N3O — CID 109213927

IUPACN-(2,4-difluorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1cc(N2CCc3ccccc3C2)ccn1
InChIInChI=1S/C21H17F2N3O/c22-16-5-6-19(18(23)11-16)25-21(27)20-12-17(7-9-24-20)26-10-8-14-3-1-2-4-15(14)13-26/h1-7,9,11-12H,8,10,13H2,(H,25,27)
InChIKeyMSIWAOLIWMFLOY-UHFFFAOYSA-N
MW365.38 g/mol
LogP4.17
Rot. Bonds3

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

N-(2,4-difluorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxamide (PubChem CID 109213927) has the molecular formula C21H17F2N3O and a molecular weight of 365.38 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxamide
PubChem CID109213927
Molecular FormulaC21H17F2N3O
Molecular Weight365.38 g/mol
Exact Mass365.13
IUPAC NameN-(2,4-difluorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1cc(N2CCc3ccccc3C2)ccn1
InChIInChI=1S/C21H17F2N3O/c22-16-5-6-19(18(23)11-16)25-21(27)20-12-17(7-9-24-20)26-10-8-14-3-1-2-4-15(14)13-26/h1-7,9,11-12H,8,10,13H2,(H,25,27)
InChIKeyMSIWAOLIWMFLOY-UHFFFAOYSA-N
XLogP4.17
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109213889
N-(3-chloro-4-fluorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxamide
CID 109213897
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)pyridine-2-carboxamide
CID 109213884
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109330570
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-pentylpyridine-2-carboxamide
CID 109213863
N-(2,4-difluorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amine
CID 112894310
N-[2-(diethylamino)ethyl]-4-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxamide
CID 56877383
N-(2,4-difluorophenyl)-2-[8-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
CID 53142388
N-(2,4-difluorophenyl)-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide
CID 109093329
2-chloro-N-(2,4-difluorophenyl)-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide
CID 16552751
6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109371692
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,3,4-trifluorophenyl)benzamide
CID 75405981

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxamide (CID 109213927) is N-(2,4-difluorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxamide is O=C(Nc1ccc(F)cc1F)c1cc(N2CCc3ccccc3C2)ccn1.
What is the InChIKey of N-(2,4-difluorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxamide?
The InChIKey is MSIWAOLIWMFLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N3O/c22-16-5-6-19(18(23)11-16)25-21(27)20-12-17(7-9-24-20)26-10-8-14-3-1-2-4-15(14)13-26/h1-7,9,11-12H,8,10,13H2,(H,25,27).
What are the key properties of N-(2,4-difluorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxamide?
N-(2,4-difluorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxamide has a molecular weight of 365.38 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 109213927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).