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

C22H20F3N3O3 — CID 66843190

IUPAC2-amino-6-(methoxymethyl)-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyridine-3-carboxamide
SMILESCOCc1ccc(C(=O)NCc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)c(N)n1
InChIInChI=1S/C22H20F3N3O3/c1-30-13-16-6-11-19(20(26)28-16)21(29)27-12-14-2-7-17(8-3-14)31-18-9-4-15(5-10-18)22(23,24)25/h2-11H,12-13H2,1H3,(H2,26,28)(H,27,29)
InChIKeyLIDKLYGCQJFOOE-UHFFFAOYSA-N
MW431.41 g/mol
LogP4.55
Rot. Bonds7

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

2-amino-6-(methoxymethyl)-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 66843190) has the molecular formula C22H20F3N3O3 and a molecular weight of 431.41 g/mol. Its IUPAC name is 2-amino-6-(methoxymethyl)-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-(methoxymethyl)-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyridine-3-carboxamide
PubChem CID66843190
Molecular FormulaC22H20F3N3O3
Molecular Weight431.41 g/mol
Exact Mass431.15
IUPAC Name2-amino-6-(methoxymethyl)-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyridine-3-carboxamide
SMILESCOCc1ccc(C(=O)NCc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)c(N)n1
InChIInChI=1S/C22H20F3N3O3/c1-30-13-16-6-11-19(20(26)28-16)21(29)27-12-14-2-7-17(8-3-14)31-18-9-4-15(5-10-18)22(23,24)25/h2-11H,12-13H2,1H3,(H2,26,28)(H,27,29)
InChIKeyLIDKLYGCQJFOOE-UHFFFAOYSA-N
XLogP4.55
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.41
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(methoxymethyl)-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-6-(methoxymethyl)-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyridine-3-carboxamide (CID 66843190) is 2-amino-6-(methoxymethyl)-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-6-(methoxymethyl)-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-6-(methoxymethyl)-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyridine-3-carboxamide is COCc1ccc(C(=O)NCc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)c(N)n1.
What is the InChIKey of 2-amino-6-(methoxymethyl)-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is LIDKLYGCQJFOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O3/c1-30-13-16-6-11-19(20(26)28-16)21(29)27-12-14-2-7-17(8-3-14)31-18-9-4-15(5-10-18)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-(trifluoromethyl)phenoxy]phenyl]methyl]pyridine-3-carboxamide?
2-amino-6-(methoxymethyl)-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 431.41 g/mol, XLogP of 4.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(methoxymethyl)-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 66843190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).