N-(4-cyanophenyl)-5-[(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyridine-3-carboxamide;hydrochloride

C23H20ClFN4O — CID 90342817

IUPACN-(4-cyanophenyl)-5-[(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyridine-3-carboxamide;hydrochloride
SMILESCl.N#Cc1ccc(NC(=O)c2cncc(CN3CCc4ccc(F)cc4C3)c2)cc1
InChIInChI=1S/C23H19FN4O.ClH/c24-21-4-3-18-7-8-28(15-20(18)10-21)14-17-9-19(13-26-12-17)23(29)27-22-5-1-16(11-25)2-6-22;/h1-6,9-10,12-13H,7-8,14-15H2,(H,27,29);1H
InChIKeyVOSRJJJGHMDZQV-UHFFFAOYSA-N
MW422.89 g/mol
LogP4.32
Rot. Bonds4

About N-(4-cyanophenyl)-5-[(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyridine-3-carboxamide;hydrochloride

N-(4-cyanophenyl)-5-[(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyridine-3-carboxamide;hydrochloride (PubChem CID 90342817) has the molecular formula C23H20ClFN4O and a molecular weight of 422.89 g/mol. Its IUPAC name is N-(4-cyanophenyl)-5-[(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-cyanophenyl)-5-[(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyridine-3-carboxamide;hydrochloride
PubChem CID90342817
Molecular FormulaC23H20ClFN4O
Molecular Weight422.89 g/mol
Exact Mass422.13
IUPAC NameN-(4-cyanophenyl)-5-[(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyridine-3-carboxamide;hydrochloride
SMILESCl.N#Cc1ccc(NC(=O)c2cncc(CN3CCc4ccc(F)cc4C3)c2)cc1
InChIInChI=1S/C23H19FN4O.ClH/c24-21-4-3-18-7-8-28(15-20(18)10-21)14-17-9-19(13-26-12-17)23(29)27-22-5-1-16(11-25)2-6-22;/h1-6,9-10,12-13H,7-8,14-15H2,(H,27,29);1H
InChIKeyVOSRJJJGHMDZQV-UHFFFAOYSA-N
XLogP4.32
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.89
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-cyanophenyl)-5-[(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyridine-3-carboxamide;hydrochloride with MolForge

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Related Compounds

3-[(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-(4-cyanophenyl)benzamide;hydrochloride
CID 90241749
3-[(6-bromo-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-(4-cyanophenyl)benzamide
CID 90241982
3-[(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-(4-methylphenyl)benzamide
CID 144656545
N-(4-cyanophenyl)-5-[[cyclopropyl-[(3,4-difluorophenyl)methyl]amino]methyl]pyridine-3-carboxamide;hydrochloride
CID 90241988
(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropanamide
CID 145175272
4-[[4-[3-[2-[(4-fluorophenyl)methyl]-1,3,4,5-tetrahydro-2-benzazepin-8-yl]-3-oxopropyl]piperidin-1-yl]methyl]benzonitrile;dihydrochloride
CID 18620917
N-(4-cyanophenyl)-3-fluorobenzamide
CID 1122145
N-[4-[(4-cyanophenyl)methylcarbamoyl]phenyl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide
CID 56654437
5-(4-cyanoanilino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109246057
5-N-(1,3-benzodioxol-5-yl)-3-N-(4-cyanophenyl)pyridine-3,5-dicarboxamide
CID 109109030
N-[2-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide
CID 26396591
N-[[3-[[2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]carbamoyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 25056114

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-5-[(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-(4-cyanophenyl)-5-[(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyridine-3-carboxamide;hydrochloride (CID 90342817) is N-(4-cyanophenyl)-5-[(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-cyanophenyl)-5-[(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(4-cyanophenyl)-5-[(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyridine-3-carboxamide;hydrochloride is Cl.N#Cc1ccc(NC(=O)c2cncc(CN3CCc4ccc(F)cc4C3)c2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-5-[(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyridine-3-carboxamide;hydrochloride?
The InChIKey is VOSRJJJGHMDZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O.ClH/c24-21-4-3-18-7-8-28(15-20(18)10-21)14-17-9-19(13-26-12-17)23(29)27-22-5-1-16(11-25)2-6-22;/h1-6,9-10,12-13H,7-8,14-15H2,(H,27,29);1H.
What are the key properties of N-(4-cyanophenyl)-5-[(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyridine-3-carboxamide;hydrochloride?
N-(4-cyanophenyl)-5-[(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyridine-3-carboxamide;hydrochloride has a molecular weight of 422.89 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-5-[(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 90342817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).