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

C18H20FN3O3 — CID 44592171

IUPAC2-[(4-fluoro-2-methylphenoxy)methyl]-6-morpholin-4-ylpyridine-4-carboxamide
SMILESCc1cc(F)ccc1OCc1cc(C(N)=O)cc(N2CCOCC2)n1
InChIInChI=1S/C18H20FN3O3/c1-12-8-14(19)2-3-16(12)25-11-15-9-13(18(20)23)10-17(21-15)22-4-6-24-7-5-22/h2-3,8-10H,4-7,11H2,1H3,(H2,20,23)
InChIKeyNVHHPSXYWLJSOC-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.04
Rot. Bonds5

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

2-[(4-fluoro-2-methylphenoxy)methyl]-6-morpholin-4-ylpyridine-4-carboxamide (PubChem CID 44592171) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 2-[(4-fluoro-2-methylphenoxy)methyl]-6-morpholin-4-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(4-fluoro-2-methylphenoxy)methyl]-6-morpholin-4-ylpyridine-4-carboxamide
PubChem CID44592171
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name2-[(4-fluoro-2-methylphenoxy)methyl]-6-morpholin-4-ylpyridine-4-carboxamide
SMILESCc1cc(F)ccc1OCc1cc(C(N)=O)cc(N2CCOCC2)n1
InChIInChI=1S/C18H20FN3O3/c1-12-8-14(19)2-3-16(12)25-11-15-9-13(18(20)23)10-17(21-15)22-4-6-24-7-5-22/h2-3,8-10H,4-7,11H2,1H3,(H2,20,23)
InChIKeyNVHHPSXYWLJSOC-UHFFFAOYSA-N
XLogP2.04
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-2-methylphenoxy)methyl]-6-morpholin-4-ylpyridine-4-carboxamide?
The IUPAC name of 2-[(4-fluoro-2-methylphenoxy)methyl]-6-morpholin-4-ylpyridine-4-carboxamide (CID 44592171) is 2-[(4-fluoro-2-methylphenoxy)methyl]-6-morpholin-4-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-[(4-fluoro-2-methylphenoxy)methyl]-6-morpholin-4-ylpyridine-4-carboxamide?
The canonical SMILES for 2-[(4-fluoro-2-methylphenoxy)methyl]-6-morpholin-4-ylpyridine-4-carboxamide is Cc1cc(F)ccc1OCc1cc(C(N)=O)cc(N2CCOCC2)n1.
What is the InChIKey of 2-[(4-fluoro-2-methylphenoxy)methyl]-6-morpholin-4-ylpyridine-4-carboxamide?
The InChIKey is NVHHPSXYWLJSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-12-8-14(19)2-3-16(12)25-11-15-9-13(18(20)23)10-17(21-15)22-4-6-24-7-5-22/h2-3,8-10H,4-7,11H2,1H3,(H2,20,23).
What are the key properties of 2-[(4-fluoro-2-methylphenoxy)methyl]-6-morpholin-4-ylpyridine-4-carboxamide?
2-[(4-fluoro-2-methylphenoxy)methyl]-6-morpholin-4-ylpyridine-4-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-2-methylphenoxy)methyl]-6-morpholin-4-ylpyridine-4-carboxamide is sourced from PubChem (CID 44592171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).