4-[[2-[(6-chloro-2-methoxy-3-pyridinyl)oxy]-6-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide

C20H14ClF3N4O4 — CID 167370737

IUPAC4-[[2-[(6-chloro-2-methoxy-3-pyridinyl)oxy]-6-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
SMILESCOc1nc(Cl)ccc1Oc1cccc(C(F)(F)F)c1C(=O)Nc1ccnc(C(N)=O)c1
InChIInChI=1S/C20H14ClF3N4O4/c1-31-19-14(5-6-15(21)28-19)32-13-4-2-3-11(20(22,23)24)16(13)18(30)27-10-7-8-26-12(9-10)17(25)29/h2-9H,1H3,(H2,25,29)(H,26,27,30)
InChIKeyHWJNIMAQYJYYCV-UHFFFAOYSA-N
MW466.80 g/mol
LogP4.30
Rot. Bonds6

About 4-[[2-[(6-chloro-2-methoxy-3-pyridinyl)oxy]-6-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide

4-[[2-[(6-chloro-2-methoxy-3-pyridinyl)oxy]-6-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide (PubChem CID 167370737) has the molecular formula C20H14ClF3N4O4 and a molecular weight of 466.80 g/mol. Its IUPAC name is 4-[[2-[(6-chloro-2-methoxy-3-pyridinyl)oxy]-6-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[2-[(6-chloro-2-methoxy-3-pyridinyl)oxy]-6-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
PubChem CID167370737
Molecular FormulaC20H14ClF3N4O4
Molecular Weight466.80 g/mol
Exact Mass466.07
IUPAC Name4-[[2-[(6-chloro-2-methoxy-3-pyridinyl)oxy]-6-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
SMILESCOc1nc(Cl)ccc1Oc1cccc(C(F)(F)F)c1C(=O)Nc1ccnc(C(N)=O)c1
InChIInChI=1S/C20H14ClF3N4O4/c1-31-19-14(5-6-15(21)28-19)32-13-4-2-3-11(20(22,23)24)16(13)18(30)27-10-7-8-26-12(9-10)17(25)29/h2-9H,1H3,(H2,25,29)(H,26,27,30)
InChIKeyHWJNIMAQYJYYCV-UHFFFAOYSA-N
XLogP4.30
TPSA116.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.80
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[[6-(2,6-dimethoxy-4-methylphenoxy)-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 167370824
5-[[2-(2-chloro-4-fluorophenoxy)-6-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 137406923
4-[[6-(3-chloro-4-fluorophenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 167370790
4-[[2-fluoro-6-(4-fluorophenoxy)-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 137410935
4-[[6-(2,3-difluoro-4-propan-2-yloxyphenoxy)-2-fluoro-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 154645104
4-[[2-bromo-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 154645325
4-[[6-(4-fluoro-3-methylphenoxy)-2-methoxy-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 167370765
N-(4-carbamoyl-3-fluorophenyl)-6-[(6-chloro-2-methoxy-3-pyridinyl)oxy]-2-fluoro-3-methylbenzamide
CID 160689602
4-[[6-[2-fluoro-4-(trifluoromethoxy)phenoxy]-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 167370757
4-[[2-cyano-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 154645123
4-[[2-fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-4-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 154645316
4-[[2-[2-(dimethylamino)ethoxy]-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 167370841

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(6-chloro-2-methoxy-3-pyridinyl)oxy]-6-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
The IUPAC name of 4-[[2-[(6-chloro-2-methoxy-3-pyridinyl)oxy]-6-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide (CID 167370737) is 4-[[2-[(6-chloro-2-methoxy-3-pyridinyl)oxy]-6-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[2-[(6-chloro-2-methoxy-3-pyridinyl)oxy]-6-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 4-[[2-[(6-chloro-2-methoxy-3-pyridinyl)oxy]-6-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide is COc1nc(Cl)ccc1Oc1cccc(C(F)(F)F)c1C(=O)Nc1ccnc(C(N)=O)c1.
What is the InChIKey of 4-[[2-[(6-chloro-2-methoxy-3-pyridinyl)oxy]-6-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
The InChIKey is HWJNIMAQYJYYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF3N4O4/c1-31-19-14(5-6-15(21)28-19)32-13-4-2-3-11(20(22,23)24)16(13)18(30)27-10-7-8-26-12(9-10)17(25)29/h2-9H,1H3,(H2,25,29)(H,26,27,30).
What are the key properties of 4-[[2-[(6-chloro-2-methoxy-3-pyridinyl)oxy]-6-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide?
4-[[2-[(6-chloro-2-methoxy-3-pyridinyl)oxy]-6-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide has a molecular weight of 466.80 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(6-chloro-2-methoxy-3-pyridinyl)oxy]-6-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 167370737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).