methoxycyclohexane;4-[[2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide

C28H30F3N3O6 — CID 154645523

IUPACmethoxycyclohexane;4-[[2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide
SMILESCOC1CCCCC1.COc1cc(OC(F)(F)F)ccc1Oc1ccccc1C(=O)Nc1ccnc(C(N)=O)c1
InChIInChI=1S/C21H16F3N3O5.C7H14O/c1-30-18-11-13(32-21(22,23)24)6-7-17(18)31-16-5-3-2-4-14(16)20(29)27-12-8-9-26-15(10-12)19(25)28;1-8-7-5-3-2-4-6-7/h2-11H,1H3,(H2,25,28)(H,26,27,29);7H,2-6H2,1H3
InChIKeyMWUOHVCVNUUMSK-UHFFFAOYSA-N
MW561.56 g/mol
LogP6.10
Rot. Bonds8

About methoxycyclohexane;4-[[2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide

methoxycyclohexane;4-[[2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide (PubChem CID 154645523) has the molecular formula C28H30F3N3O6 and a molecular weight of 561.56 g/mol. Its IUPAC name is methoxycyclohexane;4-[[2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Namemethoxycyclohexane;4-[[2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide
PubChem CID154645523
Molecular FormulaC28H30F3N3O6
Molecular Weight561.56 g/mol
Exact Mass561.21
IUPAC Namemethoxycyclohexane;4-[[2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide
SMILESCOC1CCCCC1.COc1cc(OC(F)(F)F)ccc1Oc1ccccc1C(=O)Nc1ccnc(C(N)=O)c1
InChIInChI=1S/C21H16F3N3O5.C7H14O/c1-30-18-11-13(32-21(22,23)24)6-7-17(18)31-16-5-3-2-4-14(16)20(29)27-12-8-9-26-15(10-12)19(25)28;1-8-7-5-3-2-4-6-7/h2-11H,1H3,(H2,25,28)(H,26,27,29);7H,2-6H2,1H3
InChIKeyMWUOHVCVNUUMSK-UHFFFAOYSA-N
XLogP6.10
TPSA122.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.56
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[4-(4-fluorophenyl)-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide
CID 167370759
4-[[2-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-4-(trifluoromethoxy)benzoyl]amino]pyridine-2-carboxamide
CID 137406803
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
4-[[2-bromo-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 154645325
4-[[2-fluoro-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-4-[4-(trifluoromethyl)cyclohexyl]benzoyl]amino]pyridine-2-carboxamide
CID 154645283
N-[2-(1-aminoethenyl)-4-pyridinyl]-6-tert-butyl-4-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide
CID 160753957
4-[[2-cyano-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 154645123
N-(2-acetyl-4-pyridinyl)-4-cyclopropyl-5-fluoro-2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzamide
CID 159986391
4-[[3-methyl-2-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]-5-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 154645427
4-[[2-[2-(dimethylamino)ethoxy]-6-[2-methoxy-4-(trifluoromethoxy)phenoxy]-3-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxamide
CID 167370841
4-[[4-(cyclopenten-1-yl)-2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide
CID 154645118

Frequently Asked Questions

What is the IUPAC name of methoxycyclohexane;4-[[2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide?
The IUPAC name of methoxycyclohexane;4-[[2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide (CID 154645523) is methoxycyclohexane;4-[[2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for methoxycyclohexane;4-[[2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide?
The canonical SMILES for methoxycyclohexane;4-[[2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide is COC1CCCCC1.COc1cc(OC(F)(F)F)ccc1Oc1ccccc1C(=O)Nc1ccnc(C(N)=O)c1.
What is the InChIKey of methoxycyclohexane;4-[[2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide?
The InChIKey is MWUOHVCVNUUMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O5.C7H14O/c1-30-18-11-13(32-21(22,23)24)6-7-17(18)31-16-5-3-2-4-14(16)20(29)27-12-8-9-26-15(10-12)19(25)28;1-8-7-5-3-2-4-6-7/h2-11H,1H3,(H2,25,28)(H,26,27,29);7H,2-6H2,1H3.
What are the key properties of methoxycyclohexane;4-[[2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide?
methoxycyclohexane;4-[[2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide has a molecular weight of 561.56 g/mol, XLogP of 6.10, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methoxycyclohexane;4-[[2-[2-methoxy-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 154645523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).