N,N-diethyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea

C45H52F6N6O7 — CID 158293599

IUPACN,N-diethyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESCCN(CC)C(=O)c1cc(OC2CCC(NC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)ccn1.Cc1ccc(OC2CCC(NC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C24H29F3N4O4.C21H23F3N2O3/c1-3-31(4-2)22(32)21-15-20(13-14-28-21)34-18-9-5-16(6-10-18)29-23(33)30-17-7-11-19(12-8-17)35-24(25,26)27;1-14-2-8-17(9-3-14)28-18-10-4-15(5-11-18)25-20(27)26-16-6-12-19(13-7-16)29-21(22,23)24/h7-8,11-16,18H,3-6,9-10H2,1-2H3,(H2,29,30,33);2-3,6-9,12-13,15,18H,4-5,10-11H2,1H3,(H2,25,26,27)
InChIKeyGLQLUWUTECKKKG-UHFFFAOYSA-N
MW902.93 g/mol
LogP10.38
Rot. Bonds13

About N,N-diethyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea

N,N-diethyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea (PubChem CID 158293599) has the molecular formula C45H52F6N6O7 and a molecular weight of 902.93 g/mol. Its IUPAC name is N,N-diethyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound NameN,N-diethyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea
PubChem CID158293599
Molecular FormulaC45H52F6N6O7
Molecular Weight902.93 g/mol
Exact Mass902.38
IUPAC NameN,N-diethyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea
SMILESCCN(CC)C(=O)c1cc(OC2CCC(NC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)ccn1.Cc1ccc(OC2CCC(NC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C24H29F3N4O4.C21H23F3N2O3/c1-3-31(4-2)22(32)21-15-20(13-14-28-21)34-18-9-5-16(6-10-18)29-23(33)30-17-7-11-19(12-8-17)35-24(25,26)27;1-14-2-8-17(9-3-14)28-18-10-4-15(5-11-18)25-20(27)26-16-6-12-19(13-7-16)29-21(22,23)24/h7-8,11-16,18H,3-6,9-10H2,1-2H3,(H2,29,30,33);2-3,6-9,12-13,15,18H,4-5,10-11H2,1H3,(H2,25,26,27)
InChIKeyGLQLUWUTECKKKG-UHFFFAOYSA-N
XLogP10.38
TPSA152.38 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500902.93
LogP ≤ 510.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N,N-diethyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea with MolForge

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Related Compounds

4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]oxy-N,N-diethylpyridine-2-carboxamide;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]oxy-N-methylpyridine-2-carboxamide;1-[4-(4-cyanophenoxy)cyclohexyl]-3-[4-(trifluoromethyl)phenyl]urea;N,N-diethyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea;N-methyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 157340873
1-[4-[4-(2H-tetrazol-5-yl)phenoxy]cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 71730152
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxybenzoate
CID 71730285
benzyl 4-[4-[(4-methylphenyl)carbamoylamino]cyclohexyl]oxybenzoate
CID 157304706
1-(4-ethoxyphenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 90633477
1-cyclopropyl-3-(4-ethoxyphenyl)urea
CID 17264486
1-[4-(4-acetylphenoxy)cyclohexyl]-3-[4-(trifluoromethoxy)anilino]urea
CID 59053948
1-[4-[4-(1,1-difluoroethoxy)phenoxy]cyclohexyl]-3-[3-(2,2,2-trifluoroethyl)phenyl]urea
CID 122660584
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N,N-diethylpyridine-2-carboxamide
CID 123438277
ethane;1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 90733645
4-N-(4-ethoxyphenyl)-2-N,2-N-diethylpyridine-2,4-dicarboxamide
CID 109088955
1-(4-nitrosophenyl)-3-[4-[4-(trifluoromethyl)phenoxy]cyclohexyl]urea
CID 144808234

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The IUPAC name of N,N-diethyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea (CID 158293599) is N,N-diethyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for N,N-diethyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for N,N-diethyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea is CCN(CC)C(=O)c1cc(OC2CCC(NC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)ccn1.Cc1ccc(OC2CCC(NC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)cc1.
What is the InChIKey of N,N-diethyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea?
The InChIKey is GLQLUWUTECKKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N4O4.C21H23F3N2O3/c1-3-31(4-2)22(32)21-15-20(13-14-28-21)34-18-9-5-16(6-10-18)29-23(33)30-17-7-11-19(12-8-17)35-24(25,26)27;1-14-2-8-17(9-3-14)28-18-10-4-15(5-11-18)25-20(27)26-16-6-12-19(13-7-16)29-21(22,23)24/h7-8,11-16,18H,3-6,9-10H2,1-2H3,(H2,29,30,33);2-3,6-9,12-13,15,18H,4-5,10-11H2,1H3,(H2,25,26,27).
What are the key properties of N,N-diethyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea?
N,N-diethyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea has a molecular weight of 902.93 g/mol, XLogP of 10.38, 13 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxypyridine-2-carboxamide;1-[4-(4-methylphenoxy)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 158293599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).