2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide

C22H18F3N3O — CID 109172440

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1ccnc(N2CCc3ccccc3C2)c1
InChIInChI=1S/C22H18F3N3O/c23-22(24,25)18-6-3-7-19(13-18)27-21(29)16-8-10-26-20(12-16)28-11-9-15-4-1-2-5-17(15)14-28/h1-8,10,12-13H,9,11,14H2,(H,27,29)
InChIKeyRNLVCEMTPNTVHM-UHFFFAOYSA-N
MW397.40 g/mol
LogP4.92
Rot. Bonds3

About 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide (PubChem CID 109172440) has the molecular formula C22H18F3N3O and a molecular weight of 397.40 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
PubChem CID109172440
Molecular FormulaC22H18F3N3O
Molecular Weight397.40 g/mol
Exact Mass397.14
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1ccnc(N2CCc3ccccc3C2)c1
InChIInChI=1S/C22H18F3N3O/c23-22(24,25)18-6-3-7-19(13-18)27-21(29)16-8-10-26-20(12-16)28-11-9-15-4-1-2-5-17(15)14-28/h1-8,10,12-13H,9,11,14H2,(H,27,29)
InChIKeyRNLVCEMTPNTVHM-UHFFFAOYSA-N
XLogP4.92
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.40
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-4-carboxamide
CID 109172428
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridinyl]acetamide;hydrochloride
CID 141068267
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylpyridine-4-carboxamide
CID 109174994
2-(2,3-dihydroindol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 109176481
2-anilino-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 109176138
N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)benzamide
CID 55801413
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzamide
CID 2810340
1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 108977296
2-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 20959316
2-(benzylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 109169562
2-(2-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 109177254
2-N-(3-methylphenyl)-4-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109091236

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide (CID 109172440) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)c1ccnc(N2CCc3ccccc3C2)c1.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The InChIKey is RNLVCEMTPNTVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N3O/c23-22(24,25)18-6-3-7-19(13-18)27-21(29)16-8-10-26-20(12-16)28-11-9-15-4-1-2-5-17(15)14-28/h1-8,10,12-13H,9,11,14H2,(H,27,29).
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide has a molecular weight of 397.40 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 109172440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).