5-tert-butyl-N-(2-carbamoyl-4-pyridinyl)-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-2-carboxamide

C24H23F3N4O5 — CID 154645048

IUPAC5-tert-butyl-N-(2-carbamoyl-4-pyridinyl)-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-2-carboxamide
SMILESCOc1cc(OC(F)(F)F)ccc1Oc1cc(C(C)(C)C)cnc1C(=O)Nc1ccnc(C(N)=O)c1
InChIInChI=1S/C24H23F3N4O5/c1-23(2,3)13-9-19(35-17-6-5-15(11-18(17)34-4)36-24(25,26)27)20(30-12-13)22(33)31-14-7-8-29-16(10-14)21(28)32/h5-12H,1-4H3,(H2,28,32)(H,29,31,33)
InChIKeyAGZKMPZSBZJLPB-UHFFFAOYSA-N
MW504.47 g/mol
LogP4.82
Rot. Bonds7

About 5-tert-butyl-N-(2-carbamoyl-4-pyridinyl)-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-2-carboxamide

5-tert-butyl-N-(2-carbamoyl-4-pyridinyl)-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-2-carboxamide (PubChem CID 154645048) has the molecular formula C24H23F3N4O5 and a molecular weight of 504.47 g/mol. Its IUPAC name is 5-tert-butyl-N-(2-carbamoyl-4-pyridinyl)-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-(2-carbamoyl-4-pyridinyl)-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-2-carboxamide
PubChem CID154645048
Molecular FormulaC24H23F3N4O5
Molecular Weight504.47 g/mol
Exact Mass504.16
IUPAC Name5-tert-butyl-N-(2-carbamoyl-4-pyridinyl)-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-2-carboxamide
SMILESCOc1cc(OC(F)(F)F)ccc1Oc1cc(C(C)(C)C)cnc1C(=O)Nc1ccnc(C(N)=O)c1
InChIInChI=1S/C24H23F3N4O5/c1-23(2,3)13-9-19(35-17-6-5-15(11-18(17)34-4)36-24(25,26)27)20(30-12-13)22(33)31-14-7-8-29-16(10-14)21(28)32/h5-12H,1-4H3,(H2,28,32)(H,29,31,33)
InChIKeyAGZKMPZSBZJLPB-UHFFFAOYSA-N
XLogP4.82
TPSA125.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.47
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[2-Fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-4-methoxy-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 154645112
4-[[2-Fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methyl-4-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 154645316
4-[[3-Chloro-2-fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide
CID 154644925
4-[[6-[2-Methoxy-4-(trifluoromethoxy)phenoxy]-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 154645097
4-[[2-Fluoro-6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-3-methoxy-4-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 154645315
4-[[2-Fluoro-4-methoxy-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 154645517
4-[[6-[3-Fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 162661705
3-(4-fluoro-2-methylphenoxy)-N-(2-methoxy-4-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 172446931
Methyl 3-fluoro-4-[[6-[3-fluoro-2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methyl-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate
CID 154643724
Methyl 4-[[2-hydroxy-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate
CID 154643725
Methyl 5-[[2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate
CID 154643732
Methyl 5-cyclopropyl-4-[[2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylate
CID 154643738

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(2-carbamoyl-4-pyridinyl)-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-2-carboxamide?
The IUPAC name of 5-tert-butyl-N-(2-carbamoyl-4-pyridinyl)-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-2-carboxamide (CID 154645048) is 5-tert-butyl-N-(2-carbamoyl-4-pyridinyl)-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-2-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-(2-carbamoyl-4-pyridinyl)-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-2-carboxamide?
The canonical SMILES for 5-tert-butyl-N-(2-carbamoyl-4-pyridinyl)-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-2-carboxamide is COc1cc(OC(F)(F)F)ccc1Oc1cc(C(C)(C)C)cnc1C(=O)Nc1ccnc(C(N)=O)c1.
What is the InChIKey of 5-tert-butyl-N-(2-carbamoyl-4-pyridinyl)-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-2-carboxamide?
The InChIKey is AGZKMPZSBZJLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O5/c1-23(2,3)13-9-19(35-17-6-5-15(11-18(17)34-4)36-24(25,26)27)20(30-12-13)22(33)31-14-7-8-29-16(10-14)21(28)32/h5-12H,1-4H3,(H2,28,32)(H,29,31,33).
What are the key properties of 5-tert-butyl-N-(2-carbamoyl-4-pyridinyl)-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-2-carboxamide?
5-tert-butyl-N-(2-carbamoyl-4-pyridinyl)-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-2-carboxamide has a molecular weight of 504.47 g/mol, XLogP of 4.82, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(2-carbamoyl-4-pyridinyl)-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 154645048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).