N-[[2-(trifluoromethoxy)phenyl]methyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide

C17H14F6N2O3 — CID 45487831

IUPACN-[[2-(trifluoromethoxy)phenyl]methyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1OC(F)(F)F)c1ccc(OCCC(F)(F)F)nc1
InChIInChI=1S/C17H14F6N2O3/c18-16(19,20)7-8-27-14-6-5-12(10-24-14)15(26)25-9-11-3-1-2-4-13(11)28-17(21,22)23/h1-6,10H,7-9H2,(H,25,26)
InChIKeyYQFNCZWCKSSKBX-UHFFFAOYSA-N
MW408.30 g/mol
LogP4.24
Rot. Bonds7

About N-[[2-(trifluoromethoxy)phenyl]methyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide

N-[[2-(trifluoromethoxy)phenyl]methyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide (PubChem CID 45487831) has the molecular formula C17H14F6N2O3 and a molecular weight of 408.30 g/mol. Its IUPAC name is N-[[2-(trifluoromethoxy)phenyl]methyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(trifluoromethoxy)phenyl]methyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
PubChem CID45487831
Molecular FormulaC17H14F6N2O3
Molecular Weight408.30 g/mol
Exact Mass408.09
IUPAC NameN-[[2-(trifluoromethoxy)phenyl]methyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1OC(F)(F)F)c1ccc(OCCC(F)(F)F)nc1
InChIInChI=1S/C17H14F6N2O3/c18-16(19,20)7-8-27-14-6-5-12(10-24-14)15(26)25-9-11-3-1-2-4-13(11)28-17(21,22)23/h1-6,10H,7-9H2,(H,25,26)
InChIKeyYQFNCZWCKSSKBX-UHFFFAOYSA-N
XLogP4.24
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.30
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methylsulfonylphenyl)methyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
CID 45487825
4-sulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 162582853
6-ethoxy-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 46488664
4-pyrimidin-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 24743255
4-(methanesulfonamido)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 41479006
6-[2-[[(6-fluoropyridine-3-carbonyl)amino]methyl]phenoxy]hexanoic acid
CID 123766633
3-amino-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrazole-5-carboxamide
CID 64523070
6-methoxy-N-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 35204389
N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55720371
2-[(1R)-1-hydroxyethyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 124740802
3-chloro-5-ethoxy-4-hydroxy-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 112804201
N-[(2-ethoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 47367776

Frequently Asked Questions

What is the IUPAC name of N-[[2-(trifluoromethoxy)phenyl]methyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide?
The IUPAC name of N-[[2-(trifluoromethoxy)phenyl]methyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide (CID 45487831) is N-[[2-(trifluoromethoxy)phenyl]methyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[[2-(trifluoromethoxy)phenyl]methyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[[2-(trifluoromethoxy)phenyl]methyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide is O=C(NCc1ccccc1OC(F)(F)F)c1ccc(OCCC(F)(F)F)nc1.
What is the InChIKey of N-[[2-(trifluoromethoxy)phenyl]methyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide?
The InChIKey is YQFNCZWCKSSKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F6N2O3/c18-16(19,20)7-8-27-14-6-5-12(10-24-14)15(26)25-9-11-3-1-2-4-13(11)28-17(21,22)23/h1-6,10H,7-9H2,(H,25,26).
What are the key properties of N-[[2-(trifluoromethoxy)phenyl]methyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide?
N-[[2-(trifluoromethoxy)phenyl]methyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide has a molecular weight of 408.30 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(trifluoromethoxy)phenyl]methyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide is sourced from PubChem (CID 45487831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).