N-[2-methoxy-6-[2-methoxy-3-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]butanamide

C19H21F3N2O4 — CID 151433663

IUPACN-[2-methoxy-6-[2-methoxy-3-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]butanamide
SMILESCCCC(=O)Nc1cc(C)c(-c2cccc(OC(F)(F)F)c2OC)nc1OC
InChIInChI=1S/C19H21F3N2O4/c1-5-7-15(25)23-13-10-11(2)16(24-18(13)27-4)12-8-6-9-14(17(12)26-3)28-19(20,21)22/h6,8-10H,5,7H2,1-4H3,(H,23,25)
InChIKeyPDARDFUDSJZAPT-UHFFFAOYSA-N
MW398.38 g/mol
LogP4.71
Rot. Bonds7

About N-[2-methoxy-6-[2-methoxy-3-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]butanamide

N-[2-methoxy-6-[2-methoxy-3-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]butanamide (PubChem CID 151433663) has the molecular formula C19H21F3N2O4 and a molecular weight of 398.38 g/mol. Its IUPAC name is N-[2-methoxy-6-[2-methoxy-3-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]butanamide.

Molecular Properties

Compound NameN-[2-methoxy-6-[2-methoxy-3-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]butanamide
PubChem CID151433663
Molecular FormulaC19H21F3N2O4
Molecular Weight398.38 g/mol
Exact Mass398.15
IUPAC NameN-[2-methoxy-6-[2-methoxy-3-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]butanamide
SMILESCCCC(=O)Nc1cc(C)c(-c2cccc(OC(F)(F)F)c2OC)nc1OC
InChIInChI=1S/C19H21F3N2O4/c1-5-7-15(25)23-13-10-11(2)16(24-18(13)27-4)12-8-6-9-14(17(12)26-3)28-19(20,21)22/h6,8-10H,5,7H2,1-4H3,(H,23,25)
InChIKeyPDARDFUDSJZAPT-UHFFFAOYSA-N
XLogP4.71
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.38
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-6-[2-methoxy-3-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]butanamide?
The IUPAC name of N-[2-methoxy-6-[2-methoxy-3-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]butanamide (CID 151433663) is N-[2-methoxy-6-[2-methoxy-3-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]butanamide.
What is the SMILES notation for N-[2-methoxy-6-[2-methoxy-3-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]butanamide?
The canonical SMILES for N-[2-methoxy-6-[2-methoxy-3-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]butanamide is CCCC(=O)Nc1cc(C)c(-c2cccc(OC(F)(F)F)c2OC)nc1OC.
What is the InChIKey of N-[2-methoxy-6-[2-methoxy-3-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]butanamide?
The InChIKey is PDARDFUDSJZAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O4/c1-5-7-15(25)23-13-10-11(2)16(24-18(13)27-4)12-8-6-9-14(17(12)26-3)28-19(20,21)22/h6,8-10H,5,7H2,1-4H3,(H,23,25).
What are the key properties of N-[2-methoxy-6-[2-methoxy-3-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]butanamide?
N-[2-methoxy-6-[2-methoxy-3-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]butanamide has a molecular weight of 398.38 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-6-[2-methoxy-3-(trifluoromethoxy)phenyl]-5-methyl-3-pyridinyl]butanamide is sourced from PubChem (CID 151433663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).