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

C22H19F4N3O3 — CID 66843992

IUPAC2-amino-N-[[4-[2-fluoro-3-(trifluoromethyl)phenoxy]phenyl]methyl]-6-(methoxymethyl)pyridine-3-carboxamide
SMILESCOCc1ccc(C(=O)NCc2ccc(Oc3cccc(C(F)(F)F)c3F)cc2)c(N)n1
InChIInChI=1S/C22H19F4N3O3/c1-31-12-14-7-10-16(20(27)29-14)21(30)28-11-13-5-8-15(9-6-13)32-18-4-2-3-17(19(18)23)22(24,25)26/h2-10H,11-12H2,1H3,(H2,27,29)(H,28,30)
InChIKeyZZDXHKBTTLVKBU-UHFFFAOYSA-N
MW449.40 g/mol
LogP4.69
Rot. Bonds7

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

2-amino-N-[[4-[2-fluoro-3-(trifluoromethyl)phenoxy]phenyl]methyl]-6-(methoxymethyl)pyridine-3-carboxamide (PubChem CID 66843992) has the molecular formula C22H19F4N3O3 and a molecular weight of 449.40 g/mol. Its IUPAC name is 2-amino-N-[[4-[2-fluoro-3-(trifluoromethyl)phenoxy]phenyl]methyl]-6-(methoxymethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[[4-[2-fluoro-3-(trifluoromethyl)phenoxy]phenyl]methyl]-6-(methoxymethyl)pyridine-3-carboxamide
PubChem CID66843992
Molecular FormulaC22H19F4N3O3
Molecular Weight449.40 g/mol
Exact Mass449.14
IUPAC Name2-amino-N-[[4-[2-fluoro-3-(trifluoromethyl)phenoxy]phenyl]methyl]-6-(methoxymethyl)pyridine-3-carboxamide
SMILESCOCc1ccc(C(=O)NCc2ccc(Oc3cccc(C(F)(F)F)c3F)cc2)c(N)n1
InChIInChI=1S/C22H19F4N3O3/c1-31-12-14-7-10-16(20(27)29-14)21(30)28-11-13-5-8-15(9-6-13)32-18-4-2-3-17(19(18)23)22(24,25)26/h2-10H,11-12H2,1H3,(H2,27,29)(H,28,30)
InChIKeyZZDXHKBTTLVKBU-UHFFFAOYSA-N
XLogP4.69
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.40
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-6-(methoxymethyl)-N-[[4-(4-methoxyphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 66844101
2-amino-N-[[4-[2-(2,2-dimethylpropyl)phenoxy]phenyl]methyl]-6-(methoxymethyl)pyridine-3-carboxamide
CID 66843441
2-amino-6-(methoxymethyl)-N-[[4-(4-propoxyphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 66843370
2-amino-N-[[4-(3-butylphenoxy)phenyl]methyl]-6-(methoxymethyl)pyridine-3-carboxamide
CID 66843672
2-amino-6-(methoxymethyl)-N-[[4-(3-methylthiophen-2-yl)oxyphenyl]methyl]pyridine-3-carboxamide
CID 66843491
2-amino-6-(methoxymethyl)-N-[[4-(propoxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 23130801
2-amino-N-[[4-[4-fluoro-3-(trifluoromethyl)phenoxy]phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 66843895
2-amino-N-[(2-fluoro-3-pent-4-ynoxyphenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide
CID 87176385
2-amino-N-[[4-(2-ethylphenoxy)phenyl]methyl]-6-fluoropyridine-3-carboxamide
CID 66843843
2-amino-N-[[4-[3-fluoro-4-(trifluoromethyl)phenoxy]phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 66843636
2-amino-N-[(3-but-2-enoxy-2-fluorophenyl)methyl]-6-(methoxymethyl)pyridine-3-carboxamide
CID 66843035
2-amino-N-[[4-(2-chlorophenoxy)phenyl]methyl]-6-fluoropyridine-3-carboxamide
CID 66843564

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-[2-fluoro-3-(trifluoromethyl)phenoxy]phenyl]methyl]-6-(methoxymethyl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[[4-[2-fluoro-3-(trifluoromethyl)phenoxy]phenyl]methyl]-6-(methoxymethyl)pyridine-3-carboxamide (CID 66843992) is 2-amino-N-[[4-[2-fluoro-3-(trifluoromethyl)phenoxy]phenyl]methyl]-6-(methoxymethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[[4-[2-fluoro-3-(trifluoromethyl)phenoxy]phenyl]methyl]-6-(methoxymethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[[4-[2-fluoro-3-(trifluoromethyl)phenoxy]phenyl]methyl]-6-(methoxymethyl)pyridine-3-carboxamide is COCc1ccc(C(=O)NCc2ccc(Oc3cccc(C(F)(F)F)c3F)cc2)c(N)n1.
What is the InChIKey of 2-amino-N-[[4-[2-fluoro-3-(trifluoromethyl)phenoxy]phenyl]methyl]-6-(methoxymethyl)pyridine-3-carboxamide?
The InChIKey is ZZDXHKBTTLVKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F4N3O3/c1-31-12-14-7-10-16(20(27)29-14)21(30)28-11-13-5-8-15(9-6-13)32-18-4-2-3-17(19(18)23)22(24,25)26/h2-10H,11-12H2,1H3,(H2,27,29)(H,28,30).
What are the key properties of 2-amino-N-[[4-[2-fluoro-3-(trifluoromethyl)phenoxy]phenyl]methyl]-6-(methoxymethyl)pyridine-3-carboxamide?
2-amino-N-[[4-[2-fluoro-3-(trifluoromethyl)phenoxy]phenyl]methyl]-6-(methoxymethyl)pyridine-3-carboxamide has a molecular weight of 449.40 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-[2-fluoro-3-(trifluoromethyl)phenoxy]phenyl]methyl]-6-(methoxymethyl)pyridine-3-carboxamide is sourced from PubChem (CID 66843992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).