N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropyl]-2,6-dimethoxypyridine-3-carboxamide

C26H24F6N2O4 — CID 87305026

IUPACN-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropyl]-2,6-dimethoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NCC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)c(OC)n1
InChIInChI=1S/C26H24F6N2O4/c1-36-22-9-8-21(24(34-22)37-2)23(35)33-13-18(17-6-4-3-5-7-17)15-38-14-16-10-19(25(27,28)29)12-20(11-16)26(30,31)32/h3-12,18H,13-15H2,1-2H3,(H,33,35)
InChIKeyYSOHVESENUPRDU-UHFFFAOYSA-N
MW542.48 g/mol
LogP5.87
Rot. Bonds10

About N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropyl]-2,6-dimethoxypyridine-3-carboxamide

N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropyl]-2,6-dimethoxypyridine-3-carboxamide (PubChem CID 87305026) has the molecular formula C26H24F6N2O4 and a molecular weight of 542.48 g/mol. Its IUPAC name is N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropyl]-2,6-dimethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropyl]-2,6-dimethoxypyridine-3-carboxamide
PubChem CID87305026
Molecular FormulaC26H24F6N2O4
Molecular Weight542.48 g/mol
Exact Mass542.16
IUPAC NameN-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropyl]-2,6-dimethoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NCC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)c(OC)n1
InChIInChI=1S/C26H24F6N2O4/c1-36-22-9-8-21(24(34-22)37-2)23(35)33-13-18(17-6-4-3-5-7-17)15-38-14-16-10-19(25(27,28)29)12-20(11-16)26(30,31)32/h3-12,18H,13-15H2,1-2H3,(H,33,35)
InChIKeyYSOHVESENUPRDU-UHFFFAOYSA-N
XLogP5.87
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.48
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropyl]-2,6-dimethoxypyridine-3-carboxamide?
The IUPAC name of N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropyl]-2,6-dimethoxypyridine-3-carboxamide (CID 87305026) is N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropyl]-2,6-dimethoxypyridine-3-carboxamide.
What is the SMILES notation for N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropyl]-2,6-dimethoxypyridine-3-carboxamide?
The canonical SMILES for N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropyl]-2,6-dimethoxypyridine-3-carboxamide is COc1ccc(C(=O)NCC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)c(OC)n1.
What is the InChIKey of N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropyl]-2,6-dimethoxypyridine-3-carboxamide?
The InChIKey is YSOHVESENUPRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F6N2O4/c1-36-22-9-8-21(24(34-22)37-2)23(35)33-13-18(17-6-4-3-5-7-17)15-38-14-16-10-19(25(27,28)29)12-20(11-16)26(30,31)32/h3-12,18H,13-15H2,1-2H3,(H,33,35).
What are the key properties of N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropyl]-2,6-dimethoxypyridine-3-carboxamide?
N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropyl]-2,6-dimethoxypyridine-3-carboxamide has a molecular weight of 542.48 g/mol, XLogP of 5.87, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropyl]-2,6-dimethoxypyridine-3-carboxamide is sourced from PubChem (CID 87305026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).