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

C17H18ClN3O2 — CID 118917569

IUPAC6-chloro-N-[(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)c1ccc(Cl)nc1
InChIInChI=1S/C17H18ClN3O2/c18-16-6-5-13(9-20-16)17(23)21-10-15(22)14-7-11-3-1-2-4-12(11)8-19-14/h1-6,9,14-15,19,22H,7-8,10H2,(H,21,23)/t14-,15+/m0/s1
InChIKeyIEALJVUZMGFTNM-LSDHHAIUSA-N
MW331.80 g/mol
LogP1.54
Rot. Bonds4

About 6-chloro-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]pyridine-3-carboxamide

6-chloro-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]pyridine-3-carboxamide (PubChem CID 118917569) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 6-chloro-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]pyridine-3-carboxamide
PubChem CID118917569
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name6-chloro-N-[(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)c1ccc(Cl)nc1
InChIInChI=1S/C17H18ClN3O2/c18-16-6-5-13(9-20-16)17(23)21-10-15(22)14-7-11-3-1-2-4-12(11)8-19-14/h1-6,9,14-15,19,22H,7-8,10H2,(H,21,23)/t14-,15+/m0/s1
InChIKeyIEALJVUZMGFTNM-LSDHHAIUSA-N
XLogP1.54
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-chloro-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]pyridine-3-carboxamide (CID 118917569) is 6-chloro-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-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)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]pyridine-3-carboxamide?
The InChIKey is IEALJVUZMGFTNM-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c18-16-6-5-13(9-20-16)17(23)21-10-15(22)14-7-11-3-1-2-4-12(11)8-19-14/h1-6,9,14-15,19,22H,7-8,10H2,(H,21,23)/t14-,15+/m0/s1.
What are the key properties of 6-chloro-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]pyridine-3-carboxamide?
6-chloro-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]pyridine-3-carboxamide has a molecular weight of 331.80 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 118917569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).