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

C22H20FN3O — CID 109233544

IUPAC5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cncc(N2CCc3ccccc3C2)c1
InChIInChI=1S/C22H20FN3O/c23-20-7-5-16(6-8-20)12-25-22(27)19-11-21(14-24-13-19)26-10-9-17-3-1-2-4-18(17)15-26/h1-8,11,13-14H,9-10,12,15H2,(H,25,27)
InChIKeyOTVROWGFDLINSK-UHFFFAOYSA-N
MW361.42 g/mol
LogP3.71
Rot. Bonds4

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

5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide (PubChem CID 109233544) has the molecular formula C22H20FN3O and a molecular weight of 361.42 g/mol. Its IUPAC name is 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
PubChem CID109233544
Molecular FormulaC22H20FN3O
Molecular Weight361.42 g/mol
Exact Mass361.16
IUPAC Name5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cncc(N2CCc3ccccc3C2)c1
InChIInChI=1S/C22H20FN3O/c23-20-7-5-16(6-8-20)12-25-22(27)19-11-21(14-24-13-19)26-10-9-17-3-1-2-4-18(17)15-26/h1-8,11,13-14H,9-10,12,15H2,(H,25,27)
InChIKeyOTVROWGFDLINSK-UHFFFAOYSA-N
XLogP3.71
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-fluorophenyl)methyl]-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230247
N-[(4-fluorophenyl)methyl]-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109233560
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 109119535
N-(3-chloro-4-fluorophenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
CID 109236182
5-(2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109235536
[5-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225533
N-[2-(4-fluorophenyl)ethyl]-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230260
5-(4-fluorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyridine-3-carboxamide
CID 58833091
N-[(4-fluorophenyl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104407
N-(3-chloro-2-methylphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
CID 109236178
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 84571049
N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methyl]-4-methylsulfanylbenzamide
CID 78890746

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide (CID 109233544) is 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide is O=C(NCc1ccc(F)cc1)c1cncc(N2CCc3ccccc3C2)c1.
What is the InChIKey of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide?
The InChIKey is OTVROWGFDLINSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O/c23-20-7-5-16(6-8-20)12-25-22(27)19-11-21(14-24-13-19)26-10-9-17-3-1-2-4-18(17)15-26/h1-8,11,13-14H,9-10,12,15H2,(H,25,27).
What are the key properties of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide?
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide has a molecular weight of 361.42 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 109233544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).