N-[2,3-bis(difluoromethoxy)phenyl]-N-phenylpyridine-3-carboxamide

C20H14F4N2O3 — CID 141089286

IUPACN-[2,3-bis(difluoromethoxy)phenyl]-N-phenylpyridine-3-carboxamide
SMILESO=C(c1cccnc1)N(c1ccccc1)c1cccc(OC(F)F)c1OC(F)F
InChIInChI=1S/C20H14F4N2O3/c21-19(22)28-16-10-4-9-15(17(16)29-20(23)24)26(14-7-2-1-3-8-14)18(27)13-6-5-11-25-12-13/h1-12,19-20H
InChIKeyXHDXHMKZAACDBH-UHFFFAOYSA-N
MW406.34 g/mol
LogP5.26
Rot. Bonds7

About N-[2,3-bis(difluoromethoxy)phenyl]-N-phenylpyridine-3-carboxamide

N-[2,3-bis(difluoromethoxy)phenyl]-N-phenylpyridine-3-carboxamide (PubChem CID 141089286) has the molecular formula C20H14F4N2O3 and a molecular weight of 406.34 g/mol. Its IUPAC name is N-[2,3-bis(difluoromethoxy)phenyl]-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2,3-bis(difluoromethoxy)phenyl]-N-phenylpyridine-3-carboxamide
PubChem CID141089286
Molecular FormulaC20H14F4N2O3
Molecular Weight406.34 g/mol
Exact Mass406.09
IUPAC NameN-[2,3-bis(difluoromethoxy)phenyl]-N-phenylpyridine-3-carboxamide
SMILESO=C(c1cccnc1)N(c1ccccc1)c1cccc(OC(F)F)c1OC(F)F
InChIInChI=1S/C20H14F4N2O3/c21-19(22)28-16-10-4-9-15(17(16)29-20(23)24)26(14-7-2-1-3-8-14)18(27)13-6-5-11-25-12-13/h1-12,19-20H
InChIKeyXHDXHMKZAACDBH-UHFFFAOYSA-N
XLogP5.26
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.34
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(difluoromethoxy)-3-methoxy-N-(pyridine-3-carbonyl)anilino]benzoic acid
CID 10431924
[2-(difluoromethoxy)-6-hydroxyphenyl]-pyridin-3-ylmethanone
CID 134621157
[2-chloro-3-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone
CID 134621435
[3-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone
CID 114963185
[2-(difluoromethoxy)-6-nitrophenyl]-pyridin-3-ylmethanone
CID 134621166
N-methyl-N-phenylpyridine-3-carboxamide;hydrochloride
CID 110756365
N,N-dimethylpyridine-3-carboxamide;hydrogen peroxide
CID 174921681
[4-amino-2-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone
CID 134622086
N-benzyl-N-phenylpyridine-3-carboxamide;hydrochloride
CID 110756627
1-phenyl-2-pyridin-3-ylethane-1,2-dione
CID 10987556
(E)-3-[2-(difluoromethoxy)phenyl]-N-methyl-N-(1-pyridin-3-ylethyl)prop-2-enamide
CID 60597595
2,3-di(propan-2-yloxy)benzaldehyde;pyridine-3-carboxamide
CID 160987960

Frequently Asked Questions

What is the IUPAC name of N-[2,3-bis(difluoromethoxy)phenyl]-N-phenylpyridine-3-carboxamide?
The IUPAC name of N-[2,3-bis(difluoromethoxy)phenyl]-N-phenylpyridine-3-carboxamide (CID 141089286) is N-[2,3-bis(difluoromethoxy)phenyl]-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-[2,3-bis(difluoromethoxy)phenyl]-N-phenylpyridine-3-carboxamide?
The canonical SMILES for N-[2,3-bis(difluoromethoxy)phenyl]-N-phenylpyridine-3-carboxamide is O=C(c1cccnc1)N(c1ccccc1)c1cccc(OC(F)F)c1OC(F)F.
What is the InChIKey of N-[2,3-bis(difluoromethoxy)phenyl]-N-phenylpyridine-3-carboxamide?
The InChIKey is XHDXHMKZAACDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F4N2O3/c21-19(22)28-16-10-4-9-15(17(16)29-20(23)24)26(14-7-2-1-3-8-14)18(27)13-6-5-11-25-12-13/h1-12,19-20H.
What are the key properties of N-[2,3-bis(difluoromethoxy)phenyl]-N-phenylpyridine-3-carboxamide?
N-[2,3-bis(difluoromethoxy)phenyl]-N-phenylpyridine-3-carboxamide has a molecular weight of 406.34 g/mol, XLogP of 5.26, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-bis(difluoromethoxy)phenyl]-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 141089286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).