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

C24H30N4O3 — CID 118929796

IUPACN-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-6-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide
SMILESO=C(NC[C@@H](O)[C@@H]1Cc2ccccc2CN1)c1ccc(CC(=O)N2CCCCC2)nc1
InChIInChI=1S/C24H30N4O3/c29-22(21-12-17-6-2-3-7-18(17)14-26-21)16-27-24(31)19-8-9-20(25-15-19)13-23(30)28-10-4-1-5-11-28/h2-3,6-9,15,21-22,26,29H,1,4-5,10-14,16H2,(H,27,31)/t21-,22+/m0/s1
InChIKeyGEBPIRSPRJPXNN-FCHUYYIVSA-N
MW422.53 g/mol
LogP1.44
Rot. Bonds6

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

N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-6-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide (PubChem CID 118929796) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-6-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-6-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide
PubChem CID118929796
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC NameN-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-6-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide
SMILESO=C(NC[C@@H](O)[C@@H]1Cc2ccccc2CN1)c1ccc(CC(=O)N2CCCCC2)nc1
InChIInChI=1S/C24H30N4O3/c29-22(21-12-17-6-2-3-7-18(17)14-26-21)16-27-24(31)19-8-9-20(25-15-19)13-23(30)28-10-4-1-5-11-28/h2-3,6-9,15,21-22,26,29H,1,4-5,10-14,16H2,(H,27,31)/t21-,22+/m0/s1
InChIKeyGEBPIRSPRJPXNN-FCHUYYIVSA-N
XLogP1.44
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-6-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-6-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide (CID 118929796) is N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-6-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-6-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-6-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide is O=C(NC[C@@H](O)[C@@H]1Cc2ccccc2CN1)c1ccc(CC(=O)N2CCCCC2)nc1.
What is the InChIKey of N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-6-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide?
The InChIKey is GEBPIRSPRJPXNN-FCHUYYIVSA-N. The full InChI is InChI=1S/C24H30N4O3/c29-22(21-12-17-6-2-3-7-18(17)14-26-21)16-27-24(31)19-8-9-20(25-15-19)13-23(30)28-10-4-1-5-11-28/h2-3,6-9,15,21-22,26,29H,1,4-5,10-14,16H2,(H,27,31)/t21-,22+/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-6-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide?
N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-6-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 1.44, 6 rotatable bonds, 3 hydrogen bond donors, and 5 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]-6-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 118929796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).