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

C73H89F3N12O9 — CID 90726666

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-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;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(c4ccc(O)cn4)CC3)C2)c1.Cc1cccc(C(=O)NCC(=O)NC2CN(C3CCC(c4cncc(O)c4)CC3)C2)c1
InChIInChI=1S/C25H29F3N4O3.2C24H30N4O3/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;1-16-3-2-4-18(11-16)24(31)26-13-23(30)27-19-14-28(15-19)20-7-5-17(6-8-20)22-10-9-21(29)12-25-22/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);2-4,9-12,17,19-20,29H,5-8,13-15H2,1H3,(H,26,31)(H,27,30)
InChIKeyBENJCEYBOBVJIR-UHFFFAOYSA-N
MW1335.58 g/mol
LogP8.08
Rot. Bonds18

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-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;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-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;N-[2-[[1-[4-(5-hydroxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide (PubChem CID 90726666) has the molecular formula C73H89F3N12O9 and a molecular weight of 1335.58 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-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;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-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;N-[2-[[1-[4-(5-hydroxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide
PubChem CID90726666
Molecular FormulaC73H89F3N12O9
Molecular Weight1335.58 g/mol
Exact Mass1334.68
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-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;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(c4ccc(O)cn4)CC3)C2)c1.Cc1cccc(C(=O)NCC(=O)NC2CN(C3CCC(c4cncc(O)c4)CC3)C2)c1
InChIInChI=1S/C25H29F3N4O3.2C24H30N4O3/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;1-16-3-2-4-18(11-16)24(31)26-13-23(30)27-19-14-28(15-19)20-7-5-17(6-8-20)22-10-9-21(29)12-25-22/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);2-4,9-12,17,19-20,29H,5-8,13-15H2,1H3,(H,26,31)(H,27,30)
InChIKeyBENJCEYBOBVJIR-UHFFFAOYSA-N
XLogP8.08
TPSA283.68 Ų
H-Bond Donors9
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms97
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001335.58
LogP ≤ 58.08
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1015

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-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;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-[[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-[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
3-(fluoromethyl)-N-[2-[[1-[4-(3-hydroxy-6-methyl-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]benzamide
CID 70841809
N-[2-[[1-[4-[2-[2-(3-hydroxypyridin-2-yl)-5-[3-[[2-[[3-(trifluoromethyl)benzoyl]amino]acetyl]amino]azetidin-1-yl]cyclohexyl]-6-methoxypyridin-3-yl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 90697036
N-[2-[[1-[4-hydroxy-4-(6-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-2-methyl-5-(trifluoromethyl)benzamide
CID 90924562
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
N-[2-[[1-[4-(5,6-dimethyl-3-pyridinyl)-4-hydroxycyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-hydroxy-4-(6-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 91427151

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-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;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-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;N-[2-[[1-[4-(5-hydroxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide (CID 90726666) 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-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;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-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;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-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;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(c4ccc(O)cn4)CC3)C2)c1.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-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;N-[2-[[1-[4-(5-hydroxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide?
The InChIKey is BENJCEYBOBVJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N4O3.2C24H30N4O3/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;1-16-3-2-4-18(11-16)24(31)26-13-23(30)27-19-14-28(15-19)20-7-5-17(6-8-20)22-10-9-21(29)12-25-22/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);2-4,9-12,17,19-20,29H,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-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;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-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;N-[2-[[1-[4-(5-hydroxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide has a molecular weight of 1335.58 g/mol, XLogP of 8.08, 18 rotatable bonds, 9 hydrogen bond donors, and 15 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-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide;N-[2-[[1-[4-(5-hydroxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide is sourced from PubChem (CID 90726666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).