N-[3-(difluoromethoxy)phenyl]-6-(oxolan-2-ylmethoxy)pyridine-3-carboxamide

C18H18F2N2O4 — CID 121017303

IUPACN-[3-(difluoromethoxy)phenyl]-6-(oxolan-2-ylmethoxy)pyridine-3-carboxamide
SMILESO=C(Nc1cccc(OC(F)F)c1)c1ccc(OCC2CCCO2)nc1
InChIInChI=1S/C18H18F2N2O4/c19-18(20)26-14-4-1-3-13(9-14)22-17(23)12-6-7-16(21-10-12)25-11-15-5-2-8-24-15/h1,3-4,6-7,9-10,15,18H,2,5,8,11H2,(H,22,23)
InChIKeyOXNQILJQPZOAGM-UHFFFAOYSA-N
MW364.35 g/mol
LogP3.49
Rot. Bonds7

About N-[3-(difluoromethoxy)phenyl]-6-(oxolan-2-ylmethoxy)pyridine-3-carboxamide

N-[3-(difluoromethoxy)phenyl]-6-(oxolan-2-ylmethoxy)pyridine-3-carboxamide (PubChem CID 121017303) has the molecular formula C18H18F2N2O4 and a molecular weight of 364.35 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)phenyl]-6-(oxolan-2-ylmethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)phenyl]-6-(oxolan-2-ylmethoxy)pyridine-3-carboxamide
PubChem CID121017303
Molecular FormulaC18H18F2N2O4
Molecular Weight364.35 g/mol
Exact Mass364.12
IUPAC NameN-[3-(difluoromethoxy)phenyl]-6-(oxolan-2-ylmethoxy)pyridine-3-carboxamide
SMILESO=C(Nc1cccc(OC(F)F)c1)c1ccc(OCC2CCCO2)nc1
InChIInChI=1S/C18H18F2N2O4/c19-18(20)26-14-4-1-3-13(9-14)22-17(23)12-6-7-16(21-10-12)25-11-15-5-2-8-24-15/h1,3-4,6-7,9-10,15,18H,2,5,8,11H2,(H,22,23)
InChIKeyOXNQILJQPZOAGM-UHFFFAOYSA-N
XLogP3.49
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(difluoromethoxy)phenyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 55849060
6-[[(2S)-oxolan-2-yl]methoxy]-N-pyridin-2-ylpyridine-3-carboxamide
CID 124892848
3-acetamido-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 46802911
N-(2-ethylphenyl)-6-(oxolan-2-ylmethoxy)pyridine-3-carboxamide
CID 119100066
N-(3-tert-butyl-1,2-oxazol-5-yl)-6-[[(2S)-oxolan-2-yl]methoxy]pyridine-3-carboxamide
CID 124891285
6-bromo-N-[3-(difluoromethoxy)phenyl]pyridine-3-carboxamide
CID 66463307
N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(2-phenoxyethoxy)benzamide
CID 17141902
2-fluoro-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17141893
N-[3-(oxolan-2-ylmethoxy)phenyl]thiophene-3-carboxamide
CID 46580011
2-bromo-N-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41444704
N-[(4-fluorophenyl)methyl]-6-(oxolan-2-ylmethoxy)pyridine-3-carboxamide
CID 121017286
3-amino-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrazine-2-carboxamide
CID 30831505

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)phenyl]-6-(oxolan-2-ylmethoxy)pyridine-3-carboxamide?
The IUPAC name of N-[3-(difluoromethoxy)phenyl]-6-(oxolan-2-ylmethoxy)pyridine-3-carboxamide (CID 121017303) is N-[3-(difluoromethoxy)phenyl]-6-(oxolan-2-ylmethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(difluoromethoxy)phenyl]-6-(oxolan-2-ylmethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[3-(difluoromethoxy)phenyl]-6-(oxolan-2-ylmethoxy)pyridine-3-carboxamide is O=C(Nc1cccc(OC(F)F)c1)c1ccc(OCC2CCCO2)nc1.
What is the InChIKey of N-[3-(difluoromethoxy)phenyl]-6-(oxolan-2-ylmethoxy)pyridine-3-carboxamide?
The InChIKey is OXNQILJQPZOAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O4/c19-18(20)26-14-4-1-3-13(9-14)22-17(23)12-6-7-16(21-10-12)25-11-15-5-2-8-24-15/h1,3-4,6-7,9-10,15,18H,2,5,8,11H2,(H,22,23).
What are the key properties of N-[3-(difluoromethoxy)phenyl]-6-(oxolan-2-ylmethoxy)pyridine-3-carboxamide?
N-[3-(difluoromethoxy)phenyl]-6-(oxolan-2-ylmethoxy)pyridine-3-carboxamide has a molecular weight of 364.35 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)phenyl]-6-(oxolan-2-ylmethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 121017303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).