N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C17H15F5N2O4 — CID 31909915

IUPACN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCOc1cc(CNC(=O)c2cccnc2OCC(F)(F)F)ccc1OC(F)F
InChIInChI=1S/C17H15F5N2O4/c1-26-13-7-10(4-5-12(13)28-16(18)19)8-24-14(25)11-3-2-6-23-15(11)27-9-17(20,21)22/h2-7,16H,8-9H2,1H3,(H,24,25)
InChIKeyPNKZUAPUWDVBHX-UHFFFAOYSA-N
MW406.31 g/mol
LogP3.56
Rot. Bonds8

About N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 31909915) has the molecular formula C17H15F5N2O4 and a molecular weight of 406.31 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID31909915
Molecular FormulaC17H15F5N2O4
Molecular Weight406.31 g/mol
Exact Mass406.10
IUPAC NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCOc1cc(CNC(=O)c2cccnc2OCC(F)(F)F)ccc1OC(F)F
InChIInChI=1S/C17H15F5N2O4/c1-26-13-7-10(4-5-12(13)28-16(18)19)8-24-14(25)11-3-2-6-23-15(11)27-9-17(20,21)22/h2-7,16H,8-9H2,1H3,(H,24,25)
InChIKeyPNKZUAPUWDVBHX-UHFFFAOYSA-N
XLogP3.56
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.31
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 46482950
N-[(3,4-dichlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 2727206
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 46446596
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 43046574
N-[(3-cyanophenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 134005289
N-[[4-(difluoromethoxy)phenyl]methyl]-2-ethoxypyridine-3-carboxamide
CID 42007122
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 26549786
3-(difluoromethoxy)-4-methoxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 55743105
N-[3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-oxopropyl]-2-methoxybenzamide
CID 31552261
4-(difluoromethoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethoxybenzamide
CID 9261772
2-(difluoromethoxy)-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]benzamide
CID 9240904
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-iodo-3-methylbenzamide
CID 55691012

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 31909915) is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is COc1cc(CNC(=O)c2cccnc2OCC(F)(F)F)ccc1OC(F)F.
What is the InChIKey of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is PNKZUAPUWDVBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F5N2O4/c1-26-13-7-10(4-5-12(13)28-16(18)19)8-24-14(25)11-3-2-6-23-15(11)27-9-17(20,21)22/h2-7,16H,8-9H2,1H3,(H,24,25).
What are the key properties of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 406.31 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 31909915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).