N-(6-carbamoyl-3-pyridinyl)-5-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine-4-carboxamide

C22H15F7N4O5 — CID 154645011

IUPACN-(6-carbamoyl-3-pyridinyl)-5-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCOc1c(Oc2cnc(C(F)(F)F)c(C)c2C(=O)Nc2ccc(C(N)=O)nc2)ccc(OC(F)(F)F)c1F
InChIInChI=1S/C22H15F7N4O5/c1-9-15(20(35)33-10-3-4-11(19(30)34)31-7-10)14(8-32-18(9)21(24,25)26)37-13-6-5-12(38-22(27,28)29)16(23)17(13)36-2/h3-8H,1-2H3,(H2,30,34)(H,33,35)
InChIKeyMOZYMFYWZJUUPM-UHFFFAOYSA-N
MW548.37 g/mol
LogP4.99
Rot. Bonds7

About N-(6-carbamoyl-3-pyridinyl)-5-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine-4-carboxamide

N-(6-carbamoyl-3-pyridinyl)-5-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 154645011) has the molecular formula C22H15F7N4O5 and a molecular weight of 548.37 g/mol. Its IUPAC name is N-(6-carbamoyl-3-pyridinyl)-5-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(6-carbamoyl-3-pyridinyl)-5-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID154645011
Molecular FormulaC22H15F7N4O5
Molecular Weight548.37 g/mol
Exact Mass548.09
IUPAC NameN-(6-carbamoyl-3-pyridinyl)-5-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCOc1c(Oc2cnc(C(F)(F)F)c(C)c2C(=O)Nc2ccc(C(N)=O)nc2)ccc(OC(F)(F)F)c1F
InChIInChI=1S/C22H15F7N4O5/c1-9-15(20(35)33-10-3-4-11(19(30)34)31-7-10)14(8-32-18(9)21(24,25)26)37-13-6-5-12(38-22(27,28)29)16(23)17(13)36-2/h3-8H,1-2H3,(H2,30,34)(H,33,35)
InChIKeyMOZYMFYWZJUUPM-UHFFFAOYSA-N
XLogP4.99
TPSA125.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.37
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6-carbamoyl-3-pyridinyl)-5-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-(6-carbamoyl-3-pyridinyl)-5-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine-4-carboxamide (CID 154645011) is N-(6-carbamoyl-3-pyridinyl)-5-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(6-carbamoyl-3-pyridinyl)-5-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-(6-carbamoyl-3-pyridinyl)-5-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine-4-carboxamide is COc1c(Oc2cnc(C(F)(F)F)c(C)c2C(=O)Nc2ccc(C(N)=O)nc2)ccc(OC(F)(F)F)c1F.
What is the InChIKey of N-(6-carbamoyl-3-pyridinyl)-5-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is MOZYMFYWZJUUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F7N4O5/c1-9-15(20(35)33-10-3-4-11(19(30)34)31-7-10)14(8-32-18(9)21(24,25)26)37-13-6-5-12(38-22(27,28)29)16(23)17(13)36-2/h3-8H,1-2H3,(H2,30,34)(H,33,35).
What are the key properties of N-(6-carbamoyl-3-pyridinyl)-5-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine-4-carboxamide?
N-(6-carbamoyl-3-pyridinyl)-5-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 548.37 g/mol, XLogP of 4.99, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-carbamoyl-3-pyridinyl)-5-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 154645011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).