N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-5-(morpholine-4-carbonyl)pyridine-2-carboxamide

C22H26N4O4 — CID 118929841

IUPACN-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-5-(morpholine-4-carbonyl)pyridine-2-carboxamide
SMILESO=C(NC[C@@H](O)[C@@H]1Cc2ccccc2CN1)c1ccc(C(=O)N2CCOCC2)cn1
InChIInChI=1S/C22H26N4O4/c27-20(19-11-15-3-1-2-4-16(15)12-24-19)14-25-21(28)18-6-5-17(13-23-18)22(29)26-7-9-30-10-8-26/h1-6,13,19-20,24,27H,7-12,14H2,(H,25,28)/t19-,20+/m0/s1
InChIKeyDASRXJSLFIXYLF-VQTJNVASSA-N
MW410.47 g/mol
LogP0.36
Rot. Bonds5

About N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-5-(morpholine-4-carbonyl)pyridine-2-carboxamide

N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-5-(morpholine-4-carbonyl)pyridine-2-carboxamide (PubChem CID 118929841) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-5-(morpholine-4-carbonyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-5-(morpholine-4-carbonyl)pyridine-2-carboxamide
PubChem CID118929841
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC NameN-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-5-(morpholine-4-carbonyl)pyridine-2-carboxamide
SMILESO=C(NC[C@@H](O)[C@@H]1Cc2ccccc2CN1)c1ccc(C(=O)N2CCOCC2)cn1
InChIInChI=1S/C22H26N4O4/c27-20(19-11-15-3-1-2-4-16(15)12-24-19)14-25-21(28)18-6-5-17(13-23-18)22(29)26-7-9-30-10-8-26/h1-6,13,19-20,24,27H,7-12,14H2,(H,25,28)/t19-,20+/m0/s1
InChIKeyDASRXJSLFIXYLF-VQTJNVASSA-N
XLogP0.36
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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]-5-(morpholine-4-carbonyl)pyridine-2-carboxamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-5-(morpholine-4-carbonyl)pyridine-2-carboxamide (CID 118929841) is N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-5-(morpholine-4-carbonyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-5-(morpholine-4-carbonyl)pyridine-2-carboxamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-5-(morpholine-4-carbonyl)pyridine-2-carboxamide is O=C(NC[C@@H](O)[C@@H]1Cc2ccccc2CN1)c1ccc(C(=O)N2CCOCC2)cn1.
What is the InChIKey of N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-5-(morpholine-4-carbonyl)pyridine-2-carboxamide?
The InChIKey is DASRXJSLFIXYLF-VQTJNVASSA-N. The full InChI is InChI=1S/C22H26N4O4/c27-20(19-11-15-3-1-2-4-16(15)12-24-19)14-25-21(28)18-6-5-17(13-23-18)22(29)26-7-9-30-10-8-26/h1-6,13,19-20,24,27H,7-12,14H2,(H,25,28)/t19-,20+/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-5-(morpholine-4-carbonyl)pyridine-2-carboxamide?
N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-5-(morpholine-4-carbonyl)pyridine-2-carboxamide has a molecular weight of 410.47 g/mol, XLogP of 0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 6 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]-5-(morpholine-4-carbonyl)pyridine-2-carboxamide is sourced from PubChem (CID 118929841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).