2-amino-6-(methoxymethyl)-N-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]pyridine-3-carboxamide

C22H20F3N3O4 — CID 66843721

IUPAC2-amino-6-(methoxymethyl)-N-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]pyridine-3-carboxamide
SMILESCOCc1ccc(C(=O)NCc2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)c(N)n1
InChIInChI=1S/C22H20F3N3O4/c1-30-13-15-4-11-19(20(26)28-15)21(29)27-12-14-2-5-16(6-3-14)31-17-7-9-18(10-8-17)32-22(23,24)25/h2-11H,12-13H2,1H3,(H2,26,28)(H,27,29)
InChIKeyUONNJJAHSIJLDM-UHFFFAOYSA-N
MW447.41 g/mol
LogP4.43
Rot. Bonds8

About 2-amino-6-(methoxymethyl)-N-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]pyridine-3-carboxamide

2-amino-6-(methoxymethyl)-N-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 66843721) has the molecular formula C22H20F3N3O4 and a molecular weight of 447.41 g/mol. Its IUPAC name is 2-amino-6-(methoxymethyl)-N-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-(methoxymethyl)-N-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]pyridine-3-carboxamide
PubChem CID66843721
Molecular FormulaC22H20F3N3O4
Molecular Weight447.41 g/mol
Exact Mass447.14
IUPAC Name2-amino-6-(methoxymethyl)-N-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]pyridine-3-carboxamide
SMILESCOCc1ccc(C(=O)NCc2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)c(N)n1
InChIInChI=1S/C22H20F3N3O4/c1-30-13-15-4-11-19(20(26)28-15)21(29)27-12-14-2-5-16(6-3-14)31-17-7-9-18(10-8-17)32-22(23,24)25/h2-11H,12-13H2,1H3,(H2,26,28)(H,27,29)
InChIKeyUONNJJAHSIJLDM-UHFFFAOYSA-N
XLogP4.43
TPSA95.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.41
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(methoxymethyl)-N-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-6-(methoxymethyl)-N-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]pyridine-3-carboxamide (CID 66843721) is 2-amino-6-(methoxymethyl)-N-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-6-(methoxymethyl)-N-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-6-(methoxymethyl)-N-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]pyridine-3-carboxamide is COCc1ccc(C(=O)NCc2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)c(N)n1.
What is the InChIKey of 2-amino-6-(methoxymethyl)-N-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is UONNJJAHSIJLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O4/c1-30-13-15-4-11-19(20(26)28-15)21(29)27-12-14-2-5-16(6-3-14)31-17-7-9-18(10-8-17)32-22(23,24)25/h2-11H,12-13H2,1H3,(H2,26,28)(H,27,29).
What are the key properties of 2-amino-6-(methoxymethyl)-N-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]pyridine-3-carboxamide?
2-amino-6-(methoxymethyl)-N-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 447.41 g/mol, XLogP of 4.43, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(methoxymethyl)-N-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 66843721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).