2-ethoxy-N-[2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-6-morpholin-4-ylpyridine-3-carboxamide

C23H30N4O4 — CID 130421274

IUPAC2-ethoxy-N-[2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCCOc1nc(N2CCOCC2)ccc1C(=O)NCC(O)[C@@H]1Cc2ccccc2CN1
InChIInChI=1S/C23H30N4O4/c1-2-31-23-18(7-8-21(26-23)27-9-11-30-12-10-27)22(29)25-15-20(28)19-13-16-5-3-4-6-17(16)14-24-19/h3-8,19-20,24,28H,2,9-15H2,1H3,(H,25,29)/t19-,20?/m0/s1
InChIKeyDZEGXKRSFMOEEO-XJDOXCRVSA-N
MW426.52 g/mol
LogP1.12
Rot. Bonds7

About 2-ethoxy-N-[2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-6-morpholin-4-ylpyridine-3-carboxamide

2-ethoxy-N-[2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-6-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 130421274) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is 2-ethoxy-N-[2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-6-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-6-morpholin-4-ylpyridine-3-carboxamide
PubChem CID130421274
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC Name2-ethoxy-N-[2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCCOc1nc(N2CCOCC2)ccc1C(=O)NCC(O)[C@@H]1Cc2ccccc2CN1
InChIInChI=1S/C23H30N4O4/c1-2-31-23-18(7-8-21(26-23)27-9-11-30-12-10-27)22(29)25-15-20(28)19-13-16-5-3-4-6-17(16)14-24-19/h3-8,19-20,24,28H,2,9-15H2,1H3,(H,25,29)/t19-,20?/m0/s1
InChIKeyDZEGXKRSFMOEEO-XJDOXCRVSA-N
XLogP1.12
TPSA95.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-6-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-N-[2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-6-morpholin-4-ylpyridine-3-carboxamide (CID 130421274) is 2-ethoxy-N-[2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-6-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-6-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-N-[2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-6-morpholin-4-ylpyridine-3-carboxamide is CCOc1nc(N2CCOCC2)ccc1C(=O)NCC(O)[C@@H]1Cc2ccccc2CN1.
What is the InChIKey of 2-ethoxy-N-[2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-6-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is DZEGXKRSFMOEEO-XJDOXCRVSA-N. The full InChI is InChI=1S/C23H30N4O4/c1-2-31-23-18(7-8-21(26-23)27-9-11-30-12-10-27)22(29)25-15-20(28)19-13-16-5-3-4-6-17(16)14-24-19/h3-8,19-20,24,28H,2,9-15H2,1H3,(H,25,29)/t19-,20?/m0/s1.
What are the key properties of 2-ethoxy-N-[2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-6-morpholin-4-ylpyridine-3-carboxamide?
2-ethoxy-N-[2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-6-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 1.12, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-6-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 130421274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).