N-(3-chloro-4-fluorophenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide

C21H17ClFN3O — CID 109236182

IUPACN-(3-chloro-4-fluorophenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cncc(N2CCc3ccccc3C2)c1
InChIInChI=1S/C21H17ClFN3O/c22-19-10-17(5-6-20(19)23)25-21(27)16-9-18(12-24-11-16)26-8-7-14-3-1-2-4-15(14)13-26/h1-6,9-12H,7-8,13H2,(H,25,27)
InChIKeyBVPLXXAZMFXKBA-UHFFFAOYSA-N
MW381.84 g/mol
LogP4.69
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide

N-(3-chloro-4-fluorophenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide (PubChem CID 109236182) has the molecular formula C21H17ClFN3O and a molecular weight of 381.84 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
PubChem CID109236182
Molecular FormulaC21H17ClFN3O
Molecular Weight381.84 g/mol
Exact Mass381.10
IUPAC NameN-(3-chloro-4-fluorophenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cncc(N2CCc3ccccc3C2)c1
InChIInChI=1S/C21H17ClFN3O/c22-19-10-17(5-6-20(19)23)25-21(27)16-9-18(12-24-11-16)26-8-7-14-3-1-2-4-15(14)13-26/h1-6,9-12H,7-8,13H2,(H,25,27)
InChIKeyBVPLXXAZMFXKBA-UHFFFAOYSA-N
XLogP4.69
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.84
LogP ≤ 54.69
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-(3-chloro-4-fluorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-4-carboxamide
CID 109172428
N-(3-chloro-2-methylphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
CID 109236178
N-(4-chlorophenyl)-5-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 109242479
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109233544
N'-(3-chloro-4-fluorophenyl)-N-[3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]propyl]oxamide
CID 16891754
[5-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225533
N-(4-fluorophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 109237578
N-(3-chloro-4-methylphenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225803
5-[(3-chloro-4-fluorophenyl)carbamoylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-propan-2-ylbenzamide
CID 1064166
3-N-(3-chloro-4-fluorophenyl)-5-N-(3,5-dimethylphenyl)pyridine-3,5-dicarboxamide
CID 109108356
N-(3,4-difluorophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide
CID 109121816

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide (CID 109236182) is N-(3-chloro-4-fluorophenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)c1cncc(N2CCc3ccccc3C2)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide?
The InChIKey is BVPLXXAZMFXKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN3O/c22-19-10-17(5-6-20(19)23)25-21(27)16-9-18(12-24-11-16)26-8-7-14-3-1-2-4-15(14)13-26/h1-6,9-12H,7-8,13H2,(H,25,27).
What are the key properties of N-(3-chloro-4-fluorophenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide?
N-(3-chloro-4-fluorophenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide has a molecular weight of 381.84 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 109236182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).