4-[[2-(4-hydroxy-2-methoxyphenoxy)-4-[4-(trifluoromethyl)cyclohexyl]benzoyl]amino]pyridine-2-carboxamide

C27H26F3N3O5 — CID 154644972

IUPAC4-[[2-(4-hydroxy-2-methoxyphenoxy)-4-[4-(trifluoromethyl)cyclohexyl]benzoyl]amino]pyridine-2-carboxamide
SMILESCOc1cc(O)ccc1Oc1cc(C2CCC(C(F)(F)F)CC2)ccc1C(=O)Nc1ccnc(C(N)=O)c1
InChIInChI=1S/C27H26F3N3O5/c1-37-24-14-19(34)7-9-22(24)38-23-12-16(15-2-5-17(6-3-15)27(28,29)30)4-8-20(23)26(36)33-18-10-11-32-21(13-18)25(31)35/h4,7-15,17,34H,2-3,5-6H2,1H3,(H2,31,35)(H,32,33,36)
InChIKeyPDYCDQMEDBBAOK-UHFFFAOYSA-N
MW529.52 g/mol
LogP5.78
Rot. Bonds7

About 4-[[2-(4-hydroxy-2-methoxyphenoxy)-4-[4-(trifluoromethyl)cyclohexyl]benzoyl]amino]pyridine-2-carboxamide

4-[[2-(4-hydroxy-2-methoxyphenoxy)-4-[4-(trifluoromethyl)cyclohexyl]benzoyl]amino]pyridine-2-carboxamide (PubChem CID 154644972) has the molecular formula C27H26F3N3O5 and a molecular weight of 529.52 g/mol. Its IUPAC name is 4-[[2-(4-hydroxy-2-methoxyphenoxy)-4-[4-(trifluoromethyl)cyclohexyl]benzoyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[2-(4-hydroxy-2-methoxyphenoxy)-4-[4-(trifluoromethyl)cyclohexyl]benzoyl]amino]pyridine-2-carboxamide
PubChem CID154644972
Molecular FormulaC27H26F3N3O5
Molecular Weight529.52 g/mol
Exact Mass529.18
IUPAC Name4-[[2-(4-hydroxy-2-methoxyphenoxy)-4-[4-(trifluoromethyl)cyclohexyl]benzoyl]amino]pyridine-2-carboxamide
SMILESCOc1cc(O)ccc1Oc1cc(C2CCC(C(F)(F)F)CC2)ccc1C(=O)Nc1ccnc(C(N)=O)c1
InChIInChI=1S/C27H26F3N3O5/c1-37-24-14-19(34)7-9-22(24)38-23-12-16(15-2-5-17(6-3-15)27(28,29)30)4-8-20(23)26(36)33-18-10-11-32-21(13-18)25(31)35/h4,7-15,17,34H,2-3,5-6H2,1H3,(H2,31,35)(H,32,33,36)
InChIKeyPDYCDQMEDBBAOK-UHFFFAOYSA-N
XLogP5.78
TPSA123.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.52
LogP ≤ 55.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[2-(4-hydroxy-2-methoxyphenoxy)-4-[4-(trifluoromethyl)cyclohexyl]benzoyl]amino]pyridine-2-carboxamide with MolForge

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Related Compounds

4-[[2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-4-[4-(trifluoromethyl)cyclohexyl]benzoyl]amino]pyridine-2-carboxamide
CID 154645283
4-[[2-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl]amino]pyridine-2-carboxamide
CID 137406803
4-[[4-(4-fluorophenyl)-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide
CID 167370759
methoxycyclohexane;4-[[2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide
CID 154645523
6-tert-butyl-N-(2-carbamoyl-4-pyridinyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide
CID 137406306
N-(2-carbamoyl-4-pyridinyl)-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]-6-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide
CID 137406698
N-(2-acetyl-4-pyridinyl)-4-cyclopropyl-5-fluoro-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzamide
CID 159986391
N-[2-(1-aminoethenyl)-4-pyridinyl]-6-tert-butyl-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide
CID 160753957
4-[[2-bromo-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 154645325
4-[[4-tert-butyl-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzoyl]amino]pyridine-2-carboxamide
CID 137406845
4-[[2-cyano-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 154645123
4-cyclopropyl-5-fluoro-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]-N-pyridin-4-ylbenzamide
CID 137408801

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-hydroxy-2-methoxyphenoxy)-4-[4-(trifluoromethyl)cyclohexyl]benzoyl]amino]pyridine-2-carboxamide?
The IUPAC name of 4-[[2-(4-hydroxy-2-methoxyphenoxy)-4-[4-(trifluoromethyl)cyclohexyl]benzoyl]amino]pyridine-2-carboxamide (CID 154644972) is 4-[[2-(4-hydroxy-2-methoxyphenoxy)-4-[4-(trifluoromethyl)cyclohexyl]benzoyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[2-(4-hydroxy-2-methoxyphenoxy)-4-[4-(trifluoromethyl)cyclohexyl]benzoyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 4-[[2-(4-hydroxy-2-methoxyphenoxy)-4-[4-(trifluoromethyl)cyclohexyl]benzoyl]amino]pyridine-2-carboxamide is COc1cc(O)ccc1Oc1cc(C2CCC(C(F)(F)F)CC2)ccc1C(=O)Nc1ccnc(C(N)=O)c1.
What is the InChIKey of 4-[[2-(4-hydroxy-2-methoxyphenoxy)-4-[4-(trifluoromethyl)cyclohexyl]benzoyl]amino]pyridine-2-carboxamide?
The InChIKey is PDYCDQMEDBBAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F3N3O5/c1-37-24-14-19(34)7-9-22(24)38-23-12-16(15-2-5-17(6-3-15)27(28,29)30)4-8-20(23)26(36)33-18-10-11-32-21(13-18)25(31)35/h4,7-15,17,34H,2-3,5-6H2,1H3,(H2,31,35)(H,32,33,36).
What are the key properties of 4-[[2-(4-hydroxy-2-methoxyphenoxy)-4-[4-(trifluoromethyl)cyclohexyl]benzoyl]amino]pyridine-2-carboxamide?
4-[[2-(4-hydroxy-2-methoxyphenoxy)-4-[4-(trifluoromethyl)cyclohexyl]benzoyl]amino]pyridine-2-carboxamide has a molecular weight of 529.52 g/mol, XLogP of 5.78, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-hydroxy-2-methoxyphenoxy)-4-[4-(trifluoromethyl)cyclohexyl]benzoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 154644972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).