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

C17H18FN3O — CID 124756454

IUPAC5-fluoro-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]pyridine-3-carboxamide
SMILESCN1Cc2ccccc2C[C@H]1CNC(=O)c1cncc(F)c1
InChIInChI=1S/C17H18FN3O/c1-21-11-13-5-3-2-4-12(13)7-16(21)10-20-17(22)14-6-15(18)9-19-8-14/h2-6,8-9,16H,7,10-11H2,1H3,(H,20,22)/t16-/m0/s1
InChIKeySRRORPPLRQQPRH-INIZCTEOSA-N
MW299.35 g/mol
LogP2.01
Rot. Bonds3

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

5-fluoro-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]pyridine-3-carboxamide (PubChem CID 124756454) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is 5-fluoro-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]pyridine-3-carboxamide
PubChem CID124756454
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Name5-fluoro-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]pyridine-3-carboxamide
SMILESCN1Cc2ccccc2C[C@H]1CNC(=O)c1cncc(F)c1
InChIInChI=1S/C17H18FN3O/c1-21-11-13-5-3-2-4-12(13)7-16(21)10-20-17(22)14-6-15(18)9-19-8-14/h2-6,8-9,16H,7,10-11H2,1H3,(H,20,22)/t16-/m0/s1
InChIKeySRRORPPLRQQPRH-INIZCTEOSA-N
XLogP2.01
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

2-anilino-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]pyrimidine-5-carboxamide
CID 72849015
N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide
CID 99929903
2-(4-aminopyrazol-1-yl)-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]acetamide
CID 125174227
4-methyl-N-[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methylamino]-3-oxopropyl]benzamide
CID 91832479
5-(imidazol-1-ylmethyl)-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]furan-2-carboxamide
CID 95426777
1-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-3-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]urea
CID 135214409
5-acetyl-2,4-dimethyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-1H-pyrrole-3-carboxamide
CID 95123200
N-[(2-aminocyclopentyl)methyl]-5-fluoropyridine-3-carboxamide
CID 115737021
1-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]urea
CID 125170165
1-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-3-(2-methyl-1-phenylpropan-2-yl)urea
CID 135214421
5-fluoro-N-[[(2S,5R)-1-methyl-5-[2-[2-(3-methylpyrazol-1-yl)ethylamino]-2-oxoethyl]pyrrolidin-2-yl]methyl]pyridine-3-carboxamide
CID 171387130
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]acetamide
CID 125172240

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]pyridine-3-carboxamide (CID 124756454) is 5-fluoro-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]pyridine-3-carboxamide is CN1Cc2ccccc2C[C@H]1CNC(=O)c1cncc(F)c1.
What is the InChIKey of 5-fluoro-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]pyridine-3-carboxamide?
The InChIKey is SRRORPPLRQQPRH-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18FN3O/c1-21-11-13-5-3-2-4-12(13)7-16(21)10-20-17(22)14-6-15(18)9-19-8-14/h2-6,8-9,16H,7,10-11H2,1H3,(H,20,22)/t16-/m0/s1.
What are the key properties of 5-fluoro-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]pyridine-3-carboxamide?
5-fluoro-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]pyridine-3-carboxamide has a molecular weight of 299.35 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 124756454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).