N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]pyridine-3-carboxamide

C17H19N3O2 — CID 118929900

IUPACN-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]pyridine-3-carboxamide
SMILESO=C(NC[C@@H](O)[C@@H]1Cc2ccccc2CN1)c1cccnc1
InChIInChI=1S/C17H19N3O2/c21-16(11-20-17(22)14-6-3-7-18-9-14)15-8-12-4-1-2-5-13(12)10-19-15/h1-7,9,15-16,19,21H,8,10-11H2,(H,20,22)/t15-,16+/m0/s1
InChIKeyZEEOWCDJCIOOGD-JKSUJKDBSA-N
MW297.36 g/mol
LogP0.89
Rot. Bonds4

About N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]pyridine-3-carboxamide

N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]pyridine-3-carboxamide (PubChem CID 118929900) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]pyridine-3-carboxamide
PubChem CID118929900
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]pyridine-3-carboxamide
SMILESO=C(NC[C@@H](O)[C@@H]1Cc2ccccc2CN1)c1cccnc1
InChIInChI=1S/C17H19N3O2/c21-16(11-20-17(22)14-6-3-7-18-9-14)15-8-12-4-1-2-5-13(12)10-19-15/h1-7,9,15-16,19,21H,8,10-11H2,(H,20,22)/t15-,16+/m0/s1
InChIKeyZEEOWCDJCIOOGD-JKSUJKDBSA-N
XLogP0.89
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]pyridine-3-carboxamide with MolForge

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Related Compounds

Serdexmethylphenidate
CID 134823895
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyridin-2-ylbenzamide
CID 76903444
N-[(1S)-1-benzyl-2-hydroxyethyl]-4-pyridin-4-ylbenzamide
CID 68513305
N-(4-hydroxycyclohexyl)quinoline-8-carboxamide
CID 9268568
N-(1,2,3,4-tetrahydronaphthalen-1-yl)nicotinamide
CID 2999551
N-[(2S,3S,5R)-3-hydroxy-7-methyl-5-(methylcarbamoyl)-1-phenyloctan-2-yl]quinoline-3-carboxamide
CID 10049290
Quinoline-3-carboxylic acid ((1S,2S,4R)-1-cyclohexylmethyl-2-hydroxy-6-methyl-4-methylcarbamoyl-heptyl)-amide
CID 44308819
N-[(2S,3S,5R)-3-hydroxy-7-methyl-5-(methylcarbamoyl)-1-phenyloctan-2-yl]isoquinoline-1-carboxamide
CID 44309235
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyridin-2-ylbenzamide
CID 76902883
N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyridin-2-ylbenzamide
CID 76903265
US10947234, Example 6
CID 155298888
US10947234, Example 5
CID 155298889

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]pyridine-3-carboxamide (CID 118929900) is N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]pyridine-3-carboxamide is O=C(NC[C@@H](O)[C@@H]1Cc2ccccc2CN1)c1cccnc1.
What is the InChIKey of N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]pyridine-3-carboxamide?
The InChIKey is ZEEOWCDJCIOOGD-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-16(11-20-17(22)14-6-3-7-18-9-14)15-8-12-4-1-2-5-13(12)10-19-15/h1-7,9,15-16,19,21H,8,10-11H2,(H,20,22)/t15-,16+/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]pyridine-3-carboxamide?
N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]pyridine-3-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 118929900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).