2-[(4-fluoro-2-methylphenoxy)methyl]-N-(2-hydroxyethyl)-6-morpholin-4-ylpyridine-4-carboxamide

C20H24FN3O4 — CID 44592136

IUPAC2-[(4-fluoro-2-methylphenoxy)methyl]-N-(2-hydroxyethyl)-6-morpholin-4-ylpyridine-4-carboxamide
SMILESCc1cc(F)ccc1OCc1cc(C(=O)NCCO)cc(N2CCOCC2)n1
InChIInChI=1S/C20H24FN3O4/c1-14-10-16(21)2-3-18(14)28-13-17-11-15(20(26)22-4-7-25)12-19(23-17)24-5-8-27-9-6-24/h2-3,10-12,25H,4-9,13H2,1H3,(H,22,26)
InChIKeyHWBOIVHQYYAQGP-UHFFFAOYSA-N
MW389.43 g/mol
LogP1.67
Rot. Bonds7

About 2-[(4-fluoro-2-methylphenoxy)methyl]-N-(2-hydroxyethyl)-6-morpholin-4-ylpyridine-4-carboxamide

2-[(4-fluoro-2-methylphenoxy)methyl]-N-(2-hydroxyethyl)-6-morpholin-4-ylpyridine-4-carboxamide (PubChem CID 44592136) has the molecular formula C20H24FN3O4 and a molecular weight of 389.43 g/mol. Its IUPAC name is 2-[(4-fluoro-2-methylphenoxy)methyl]-N-(2-hydroxyethyl)-6-morpholin-4-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(4-fluoro-2-methylphenoxy)methyl]-N-(2-hydroxyethyl)-6-morpholin-4-ylpyridine-4-carboxamide
PubChem CID44592136
Molecular FormulaC20H24FN3O4
Molecular Weight389.43 g/mol
Exact Mass389.18
IUPAC Name2-[(4-fluoro-2-methylphenoxy)methyl]-N-(2-hydroxyethyl)-6-morpholin-4-ylpyridine-4-carboxamide
SMILESCc1cc(F)ccc1OCc1cc(C(=O)NCCO)cc(N2CCOCC2)n1
InChIInChI=1S/C20H24FN3O4/c1-14-10-16(21)2-3-18(14)28-13-17-11-15(20(26)22-4-7-25)12-19(23-17)24-5-8-27-9-6-24/h2-3,10-12,25H,4-9,13H2,1H3,(H,22,26)
InChIKeyHWBOIVHQYYAQGP-UHFFFAOYSA-N
XLogP1.67
TPSA83.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-2-methylphenoxy)methyl]-N-(2-hydroxyethyl)-6-morpholin-4-ylpyridine-4-carboxamide?
The IUPAC name of 2-[(4-fluoro-2-methylphenoxy)methyl]-N-(2-hydroxyethyl)-6-morpholin-4-ylpyridine-4-carboxamide (CID 44592136) is 2-[(4-fluoro-2-methylphenoxy)methyl]-N-(2-hydroxyethyl)-6-morpholin-4-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-[(4-fluoro-2-methylphenoxy)methyl]-N-(2-hydroxyethyl)-6-morpholin-4-ylpyridine-4-carboxamide?
The canonical SMILES for 2-[(4-fluoro-2-methylphenoxy)methyl]-N-(2-hydroxyethyl)-6-morpholin-4-ylpyridine-4-carboxamide is Cc1cc(F)ccc1OCc1cc(C(=O)NCCO)cc(N2CCOCC2)n1.
What is the InChIKey of 2-[(4-fluoro-2-methylphenoxy)methyl]-N-(2-hydroxyethyl)-6-morpholin-4-ylpyridine-4-carboxamide?
The InChIKey is HWBOIVHQYYAQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O4/c1-14-10-16(21)2-3-18(14)28-13-17-11-15(20(26)22-4-7-25)12-19(23-17)24-5-8-27-9-6-24/h2-3,10-12,25H,4-9,13H2,1H3,(H,22,26).
What are the key properties of 2-[(4-fluoro-2-methylphenoxy)methyl]-N-(2-hydroxyethyl)-6-morpholin-4-ylpyridine-4-carboxamide?
2-[(4-fluoro-2-methylphenoxy)methyl]-N-(2-hydroxyethyl)-6-morpholin-4-ylpyridine-4-carboxamide has a molecular weight of 389.43 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-2-methylphenoxy)methyl]-N-(2-hydroxyethyl)-6-morpholin-4-ylpyridine-4-carboxamide is sourced from PubChem (CID 44592136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).