N-[2-[[1-[4-(3-hydroxy-6-methyl-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-(5-hydroxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide

C49H59F3N8O6 — CID 91280019

IUPACN-[2-[[1-[4-(3-hydroxy-6-methyl-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-(5-hydroxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide
SMILESCc1ccc(O)c(C2CCC(N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)n1.Cc1cccc(C(=O)NCC(=O)NC2CN(C3CCC(c4cncc(O)c4)CC3)C2)c1
InChIInChI=1S/C25H29F3N4O3.C24H30N4O3/c1-15-5-10-21(33)23(30-15)16-6-8-20(9-7-16)32-13-19(14-32)31-22(34)12-29-24(35)17-3-2-4-18(11-17)25(26,27)28;1-16-3-2-4-18(9-16)24(31)26-13-23(30)27-20-14-28(15-20)21-7-5-17(6-8-21)19-10-22(29)12-25-11-19/h2-5,10-11,16,19-20,33H,6-9,12-14H2,1H3,(H,29,35)(H,31,34);2-4,9-12,17,20-21,29H,5-8,13-15H2,1H3,(H,26,31)(H,27,30)
InChIKeyPFEAVDRGEJHNTK-UHFFFAOYSA-N
MW913.05 g/mol
LogP5.72
Rot. Bonds12

About N-[2-[[1-[4-(3-hydroxy-6-methyl-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-(5-hydroxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide

N-[2-[[1-[4-(3-hydroxy-6-methyl-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-(5-hydroxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide (PubChem CID 91280019) has the molecular formula C49H59F3N8O6 and a molecular weight of 913.05 g/mol. Its IUPAC name is N-[2-[[1-[4-(3-hydroxy-6-methyl-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-(5-hydroxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-[[1-[4-(3-hydroxy-6-methyl-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-(5-hydroxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide
PubChem CID91280019
Molecular FormulaC49H59F3N8O6
Molecular Weight913.05 g/mol
Exact Mass912.45
IUPAC NameN-[2-[[1-[4-(3-hydroxy-6-methyl-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-(5-hydroxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide
SMILESCc1ccc(O)c(C2CCC(N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)n1.Cc1cccc(C(=O)NCC(=O)NC2CN(C3CCC(c4cncc(O)c4)CC3)C2)c1
InChIInChI=1S/C25H29F3N4O3.C24H30N4O3/c1-15-5-10-21(33)23(30-15)16-6-8-20(9-7-16)32-13-19(14-32)31-22(34)12-29-24(35)17-3-2-4-18(11-17)25(26,27)28;1-16-3-2-4-18(9-16)24(31)26-13-23(30)27-20-14-28(15-20)21-7-5-17(6-8-21)19-10-22(29)12-25-11-19/h2-5,10-11,16,19-20,33H,6-9,12-14H2,1H3,(H,29,35)(H,31,34);2-4,9-12,17,20-21,29H,5-8,13-15H2,1H3,(H,26,31)(H,27,30)
InChIKeyPFEAVDRGEJHNTK-UHFFFAOYSA-N
XLogP5.72
TPSA189.12 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500913.05
LogP ≤ 55.72
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze N-[2-[[1-[4-(3-hydroxy-6-methyl-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-(5-hydroxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide with MolForge

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Related Compounds

N-({1-[4-(3-Hydroxy-pyridin-4-yl)-cyclohexyl]-azetidin-3-ylcarbamoyl}-methyl)-3-trifluoromethyl-benzamide
CID 46944855
N-[2-[[1-[4-(5-hydroxypyridin-2-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 46947816
N-[2-benzyl-3-(5-hydroxy-2-pyridinyl)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide
CID 5470926
N-[2-[[1-[4-(5-hydroxypyridin-3-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 46945050
N-({1-[4-(3-Hydroxy-pyridin-2-yl)-cyclohexyl]-azetidin-3-ylcarbamoyl}-methyl)-3-trifluoromethyl-benzamide
CID 46947815
N-[2-[[1-[4-(3-hydroxy-6-methylpyridin-2-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 46947818
N-[[4-[(3-hydroxypyridin-2-yl)methylamino]cyclohexyl]methyl]-3,5-bis(trifluoromethyl)benzamide
CID 57991835
N-[2-[[1-[4-[(3-methoxypyridin-2-yl)methyl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 59541132
N-[2-[azetidin-3-yl-[4-(3-hydroxypyridin-2-yl)cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 66750409
3-(fluoromethyl)-N-[2-[[1-[4-(5-hydroxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]benzamide
CID 68251322
N-[2-[[(3S,4S)-4-ethoxy-3-[4-(3-hydroxy-2-pyridinyl)cyclohexyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 69367490
3-(fluoromethyl)-N-[2-[[1-[4-(3-hydroxy-6-methyl-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]benzamide
CID 70841809

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-[4-(3-hydroxy-6-methyl-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-(5-hydroxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide?
The IUPAC name of N-[2-[[1-[4-(3-hydroxy-6-methyl-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-(5-hydroxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide (CID 91280019) is N-[2-[[1-[4-(3-hydroxy-6-methyl-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-(5-hydroxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-[[1-[4-(3-hydroxy-6-methyl-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-(5-hydroxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-[[1-[4-(3-hydroxy-6-methyl-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-(5-hydroxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide is Cc1ccc(O)c(C2CCC(N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)n1.Cc1cccc(C(=O)NCC(=O)NC2CN(C3CCC(c4cncc(O)c4)CC3)C2)c1.
What is the InChIKey of N-[2-[[1-[4-(3-hydroxy-6-methyl-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-(5-hydroxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide?
The InChIKey is PFEAVDRGEJHNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N4O3.C24H30N4O3/c1-15-5-10-21(33)23(30-15)16-6-8-20(9-7-16)32-13-19(14-32)31-22(34)12-29-24(35)17-3-2-4-18(11-17)25(26,27)28;1-16-3-2-4-18(9-16)24(31)26-13-23(30)27-20-14-28(15-20)21-7-5-17(6-8-21)19-10-22(29)12-25-11-19/h2-5,10-11,16,19-20,33H,6-9,12-14H2,1H3,(H,29,35)(H,31,34);2-4,9-12,17,20-21,29H,5-8,13-15H2,1H3,(H,26,31)(H,27,30).
What are the key properties of N-[2-[[1-[4-(3-hydroxy-6-methyl-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-(5-hydroxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide?
N-[2-[[1-[4-(3-hydroxy-6-methyl-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-(5-hydroxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide has a molecular weight of 913.05 g/mol, XLogP of 5.72, 12 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-[4-(3-hydroxy-6-methyl-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-(5-hydroxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide is sourced from PubChem (CID 91280019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).