N-[2-[[1-[4-(6-amino-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methyl-5-(trifluoromethyl)benzamide;N-[2-[[1-[4-(4-amino-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]prop-2-enyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-(5-amino-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]prop-2-enyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-[2-(dimethylamino)pyrimidin-5-yl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;methane;N-[2-oxo-2-[[1-[4-(6-oxo-1H-pyridin-3-yl)cyclohexyl]azetidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide;N-[2-oxo-2-[[1-(4-pyrazin-2-ylcyclohexyl)azetidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide

C150H186F18N30O11 — CID 159698163

IUPACN-[2-[[1-[4-(6-amino-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methyl-5-(trifluoromethyl)benzamide;N-[2-[[1-[4-(4-amino-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]prop-2-enyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-(5-amino-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]prop-2-enyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-[2-(dimethylamino)pyrimidin-5-yl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;methane;N-[2-oxo-2-[[1-[4-(6-oxo-1H-pyridin-3-yl)cyclohexyl]azetidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide;N-[2-oxo-2-[[1-(4-pyrazin-2-ylcyclohexyl)azetidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide
SMILESC.C.C.C=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN(C2CCC(c3cc(N)ccn3)CC2)C1.C=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN(C2CCC(c3cncc(N)c3)CC2)C1.CN(C)c1ncc(C2CCC(N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1.Cc1cc(C(=O)NCC(=O)NC2CN(C3CCC(c4cccc(N)n4)CC3)C2)cc(C(F)(F)F)c1.O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN(C2CCC(c3ccc(=O)[nH]c3)CC2)C1.O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN(C2CCC(c3cnccn3)CC2)C1
InChIInChI=1S/C25H31F3N6O2.C25H30F3N5O2.2C25H30F3N5O.C24H27F3N4O3.C23H26F3N5O2.3CH4/c1-33(2)24-30-11-18(12-31-24)16-6-8-21(9-7-16)34-14-20(15-34)32-22(35)13-29-23(36)17-4-3-5-19(10-17)25(26,27)28;1-15-9-17(11-18(10-15)25(26,27)28)24(35)30-12-23(34)31-19-13-33(14-19)20-7-5-16(6-8-20)21-3-2-4-22(29)32-21;1-16(11-31-24(34)18-3-2-4-20(9-18)25(26,27)28)32-22-14-33(15-22)23-7-5-17(6-8-23)19-10-21(29)13-30-12-19;1-16(13-31-24(34)18-3-2-4-19(11-18)25(26,27)28)32-21-14-33(15-21)22-7-5-17(6-8-22)23-12-20(29)9-10-30-23;25-24(26,27)18-3-1-2-16(10-18)23(34)29-12-22(33)30-19-13-31(14-19)20-7-4-15(5-8-20)17-6-9-21(32)28-11-17;24-23(25,26)17-3-1-2-16(10-17)22(33)29-12-21(32)30-18-13-31(14-18)19-6-4-15(5-7-19)20-11-27-8-9-28-20;;;/h3-5,10-12,16,20-21H,6-9,13-15H2,1-2H3,(H,29,36)(H,32,35);2-4,9-11,16,19-20H,5-8,12-14H2,1H3,(H2,29,32)(H,30,35)(H,31,34);2-4,9-10,12-13,17,22-23,32H,1,5-8,11,14-15,29H2,(H,31,34);2-4,9-12,17,21-22,32H,1,5-8,13-15H2,(H2,29,30)(H,31,34);1-3,6,9-11,15,19-20H,4-5,7-8,12-14H2,(H,28,32)(H,29,34)(H,30,33);1-3,8-11,15,18-19H,4-7,12-14H2,(H,29,33)(H,30,32);3*1H4
InChIKeyMXGXKNIDRNFVNH-UHFFFAOYSA-N
MW2927.30 g/mol
LogP21.23
Rot. Bonds39

About N-[2-[[1-[4-(6-amino-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methyl-5-(trifluoromethyl)benzamide;N-[2-[[1-[4-(4-amino-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]prop-2-enyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-(5-amino-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]prop-2-enyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-[2-(dimethylamino)pyrimidin-5-yl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;methane;N-[2-oxo-2-[[1-[4-(6-oxo-1H-pyridin-3-yl)cyclohexyl]azetidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide;N-[2-oxo-2-[[1-(4-pyrazin-2-ylcyclohexyl)azetidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide

N-[2-[[1-[4-(6-amino-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methyl-5-(trifluoromethyl)benzamide;N-[2-[[1-[4-(4-amino-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]prop-2-enyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-(5-amino-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]prop-2-enyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-[2-(dimethylamino)pyrimidin-5-yl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;methane;N-[2-oxo-2-[[1-[4-(6-oxo-1H-pyridin-3-yl)cyclohexyl]azetidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide;N-[2-oxo-2-[[1-(4-pyrazin-2-ylcyclohexyl)azetidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide (PubChem CID 159698163) has the molecular formula C150H186F18N30O11 and a molecular weight of 2927.30 g/mol. Its IUPAC name is N-[2-[[1-[4-(6-amino-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methyl-5-(trifluoromethyl)benzamide;N-[2-[[1-[4-(4-amino-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]prop-2-enyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-(5-amino-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]prop-2-enyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-[2-(dimethylamino)pyrimidin-5-yl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;methane;N-[2-oxo-2-[[1-[4-(6-oxo-1H-pyridin-3-yl)cyclohexyl]azetidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide;N-[2-oxo-2-[[1-(4-pyrazin-2-ylcyclohexyl)azetidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[[1-[4-(6-amino-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methyl-5-(trifluoromethyl)benzamide;N-[2-[[1-[4-(4-amino-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]prop-2-enyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-(5-amino-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]prop-2-enyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-[2-(dimethylamino)pyrimidin-5-yl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;methane;N-[2-oxo-2-[[1-[4-(6-oxo-1H-pyridin-3-yl)cyclohexyl]azetidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide;N-[2-oxo-2-[[1-(4-pyrazin-2-ylcyclohexyl)azetidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide
PubChem CID159698163
Molecular FormulaC150H186F18N30O11
Molecular Weight2927.30 g/mol
Exact Mass2925.46
IUPAC NameN-[2-[[1-[4-(6-amino-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methyl-5-(trifluoromethyl)benzamide;N-[2-[[1-[4-(4-amino-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]prop-2-enyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-(5-amino-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]prop-2-enyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-[2-(dimethylamino)pyrimidin-5-yl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;methane;N-[2-oxo-2-[[1-[4-(6-oxo-1H-pyridin-3-yl)cyclohexyl]azetidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide;N-[2-oxo-2-[[1-(4-pyrazin-2-ylcyclohexyl)azetidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide
SMILESC.C.C.C=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN(C2CCC(c3cc(N)ccn3)CC2)C1.C=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN(C2CCC(c3cncc(N)c3)CC2)C1.CN(C)c1ncc(C2CCC(N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1.Cc1cc(C(=O)NCC(=O)NC2CN(C3CCC(c4cccc(N)n4)CC3)C2)cc(C(F)(F)F)c1.O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN(C2CCC(c3ccc(=O)[nH]c3)CC2)C1.O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN(C2CCC(c3cnccn3)CC2)C1
InChIInChI=1S/C25H31F3N6O2.C25H30F3N5O2.2C25H30F3N5O.C24H27F3N4O3.C23H26F3N5O2.3CH4/c1-33(2)24-30-11-18(12-31-24)16-6-8-21(9-7-16)34-14-20(15-34)32-22(35)13-29-23(36)17-4-3-5-19(10-17)25(26,27)28;1-15-9-17(11-18(10-15)25(26,27)28)24(35)30-12-23(34)31-19-13-33(14-19)20-7-5-16(6-8-20)21-3-2-4-22(29)32-21;1-16(11-31-24(34)18-3-2-4-20(9-18)25(26,27)28)32-22-14-33(15-22)23-7-5-17(6-8-23)19-10-21(29)13-30-12-19;1-16(13-31-24(34)18-3-2-4-19(11-18)25(26,27)28)32-21-14-33(15-21)22-7-5-17(6-8-22)23-12-20(29)9-10-30-23;25-24(26,27)18-3-1-2-16(10-18)23(34)29-12-22(33)30-19-13-31(14-19)20-7-4-15(5-8-20)17-6-9-21(32)28-11-17;24-23(25,26)17-3-1-2-16(10-17)22(33)29-12-21(32)30-18-13-31(14-18)19-6-4-15(5-7-19)20-11-27-8-9-28-20;;;/h3-5,10-12,16,20-21H,6-9,13-15H2,1-2H3,(H,29,36)(H,32,35);2-4,9-11,16,19-20H,5-8,12-14H2,1H3,(H2,29,32)(H,30,35)(H,31,34);2-4,9-10,12-13,17,22-23,32H,1,5-8,11,14-15,29H2,(H,31,34);2-4,9-12,17,21-22,32H,1,5-8,13-15H2,(H2,29,30)(H,31,34);1-3,6,9-11,15,19-20H,4-5,7-8,12-14H2,(H,28,32)(H,29,34)(H,30,33);1-3,8-11,15,18-19H,4-7,12-14H2,(H,29,33)(H,30,32);3*1H4
InChIKeyMXGXKNIDRNFVNH-UHFFFAOYSA-N
XLogP21.23
TPSA538.89 Ų
H-Bond Donors16
H-Bond Acceptors30
Rotatable Bonds39
Heavy Atoms209
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002927.30
LogP ≤ 521.23
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1030

Analyze N-[2-[[1-[4-(6-amino-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methyl-5-(trifluoromethyl)benzamide;N-[2-[[1-[4-(4-amino-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]prop-2-enyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-(5-amino-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]prop-2-enyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-[2-(dimethylamino)pyrimidin-5-yl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;methane;N-[2-oxo-2-[[1-[4-(6-oxo-1H-pyridin-3-yl)cyclohexyl]azetidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide;N-[2-oxo-2-[[1-(4-pyrazin-2-ylcyclohexyl)azetidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide with MolForge

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Related Compounds

(E)-N-(4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-4-methyl-3-(2-(5-(2-methyl-6-(piperazin-1-yl)pyrimidin-4-ylamino)pyrazin-2-yl)vinyl)benzamide
CID 24816492
N-(1-methylpiperidin-4-yl)-5-[[6-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]amino]pyridine-2-carboxamide
CID 68253397
[4-[[5-[4-Methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-(3-pyridin-4-ylphenyl)methanone
CID 119098944
[3-(Imidazol-1-ylmethyl)phenyl]-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 119098947
US11660293, Example 248
CID 137535439
N-[4-[(4-ethylpiperazino)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[(E)-2-[5-[(2-methyl-6-piperazino-pyrimidin-4-yl)amino]pyrazin-2-yl]vinyl]benzamide;2,2,2-trifluoroacetic acid
CID 24816493
N1,N3-bis[(1S)-1-[(3,5-difluorophenyl)methyl]-2-[(2-ethylpyrimidin-5-yl)-methyl-amino]-2-oxo-ethyl]-4-fluoro-benzene-1,3-dicarboxamide
CID 122647285
N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[2-[5-[(2-methyl-6-piperazin-1-ylpyrimidin-4-yl)amino]pyrazin-2-yl]ethenyl]benzamide;2,2,2-trifluoroacetic acid
CID 56965888
N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[(E)-2-[5-[(2-methyl-6-piperazin-1-ylpyrimidin-4-yl)amino]pyrazin-2-yl]ethenyl]benzamide
CID 53339853
N-[2-(2-piperazin-1-ylpyridin-4-yl)-6-(pyrazin-2-ylamino)pyridin-4-yl]-3-(trifluoromethyl)benzamide
CID 67127972
N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]pyridin-3-yl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 67386810
3-amino-N-[4-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]pyridin-3-yl]-6-[2-(4-methylpiperazin-1-yl)pyridin-4-yl]pyridine-2-carboxamide
CID 68187521

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-[4-(6-amino-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methyl-5-(trifluoromethyl)benzamide;N-[2-[[1-[4-(4-amino-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]prop-2-enyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-(5-amino-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]prop-2-enyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-[2-(dimethylamino)pyrimidin-5-yl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;methane;N-[2-oxo-2-[[1-[4-(6-oxo-1H-pyridin-3-yl)cyclohexyl]azetidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide;N-[2-oxo-2-[[1-(4-pyrazin-2-ylcyclohexyl)azetidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[[1-[4-(6-amino-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methyl-5-(trifluoromethyl)benzamide;N-[2-[[1-[4-(4-amino-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]prop-2-enyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-(5-amino-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]prop-2-enyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-[2-(dimethylamino)pyrimidin-5-yl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;methane;N-[2-oxo-2-[[1-[4-(6-oxo-1H-pyridin-3-yl)cyclohexyl]azetidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide;N-[2-oxo-2-[[1-(4-pyrazin-2-ylcyclohexyl)azetidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide (CID 159698163) is N-[2-[[1-[4-(6-amino-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methyl-5-(trifluoromethyl)benzamide;N-[2-[[1-[4-(4-amino-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]prop-2-enyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-(5-amino-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]prop-2-enyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-[2-(dimethylamino)pyrimidin-5-yl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;methane;N-[2-oxo-2-[[1-[4-(6-oxo-1H-pyridin-3-yl)cyclohexyl]azetidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide;N-[2-oxo-2-[[1-(4-pyrazin-2-ylcyclohexyl)azetidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[[1-[4-(6-amino-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methyl-5-(trifluoromethyl)benzamide;N-[2-[[1-[4-(4-amino-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]prop-2-enyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-(5-amino-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]prop-2-enyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-[2-(dimethylamino)pyrimidin-5-yl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;methane;N-[2-oxo-2-[[1-[4-(6-oxo-1H-pyridin-3-yl)cyclohexyl]azetidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide;N-[2-oxo-2-[[1-(4-pyrazin-2-ylcyclohexyl)azetidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[[1-[4-(6-amino-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methyl-5-(trifluoromethyl)benzamide;N-[2-[[1-[4-(4-amino-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]prop-2-enyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-(5-amino-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]prop-2-enyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-[2-(dimethylamino)pyrimidin-5-yl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;methane;N-[2-oxo-2-[[1-[4-(6-oxo-1H-pyridin-3-yl)cyclohexyl]azetidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide;N-[2-oxo-2-[[1-(4-pyrazin-2-ylcyclohexyl)azetidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide is C.C.C.C=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN(C2CCC(c3cc(N)ccn3)CC2)C1.C=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN(C2CCC(c3cncc(N)c3)CC2)C1.CN(C)c1ncc(C2CCC(N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1.Cc1cc(C(=O)NCC(=O)NC2CN(C3CCC(c4cccc(N)n4)CC3)C2)cc(C(F)(F)F)c1.O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN(C2CCC(c3ccc(=O)[nH]c3)CC2)C1.O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN(C2CCC(c3cnccn3)CC2)C1.
What is the InChIKey of N-[2-[[1-[4-(6-amino-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methyl-5-(trifluoromethyl)benzamide;N-[2-[[1-[4-(4-amino-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]prop-2-enyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-(5-amino-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]prop-2-enyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-[2-(dimethylamino)pyrimidin-5-yl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;methane;N-[2-oxo-2-[[1-[4-(6-oxo-1H-pyridin-3-yl)cyclohexyl]azetidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide;N-[2-oxo-2-[[1-(4-pyrazin-2-ylcyclohexyl)azetidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is MXGXKNIDRNFVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F3N6O2.C25H30F3N5O2.2C25H30F3N5O.C24H27F3N4O3.C23H26F3N5O2.3CH4/c1-33(2)24-30-11-18(12-31-24)16-6-8-21(9-7-16)34-14-20(15-34)32-22(35)13-29-23(36)17-4-3-5-19(10-17)25(26,27)28;1-15-9-17(11-18(10-15)25(26,27)28)24(35)30-12-23(34)31-19-13-33(14-19)20-7-5-16(6-8-20)21-3-2-4-22(29)32-21;1-16(11-31-24(34)18-3-2-4-20(9-18)25(26,27)28)32-22-14-33(15-22)23-7-5-17(6-8-23)19-10-21(29)13-30-12-19;1-16(13-31-24(34)18-3-2-4-19(11-18)25(26,27)28)32-21-14-33(15-21)22-7-5-17(6-8-22)23-12-20(29)9-10-30-23;25-24(26,27)18-3-1-2-16(10-18)23(34)29-12-22(33)30-19-13-31(14-19)20-7-4-15(5-8-20)17-6-9-21(32)28-11-17;24-23(25,26)17-3-1-2-16(10-17)22(33)29-12-21(32)30-18-13-31(14-18)19-6-4-15(5-7-19)20-11-27-8-9-28-20;;;/h3-5,10-12,16,20-21H,6-9,13-15H2,1-2H3,(H,29,36)(H,32,35);2-4,9-11,16,19-20H,5-8,12-14H2,1H3,(H2,29,32)(H,30,35)(H,31,34);2-4,9-10,12-13,17,22-23,32H,1,5-8,11,14-15,29H2,(H,31,34);2-4,9-12,17,21-22,32H,1,5-8,13-15H2,(H2,29,30)(H,31,34);1-3,6,9-11,15,19-20H,4-5,7-8,12-14H2,(H,28,32)(H,29,34)(H,30,33);1-3,8-11,15,18-19H,4-7,12-14H2,(H,29,33)(H,30,32);3*1H4.
What are the key properties of N-[2-[[1-[4-(6-amino-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methyl-5-(trifluoromethyl)benzamide;N-[2-[[1-[4-(4-amino-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]prop-2-enyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-(5-amino-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]prop-2-enyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-[2-(dimethylamino)pyrimidin-5-yl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;methane;N-[2-oxo-2-[[1-[4-(6-oxo-1H-pyridin-3-yl)cyclohexyl]azetidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide;N-[2-oxo-2-[[1-(4-pyrazin-2-ylcyclohexyl)azetidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide?
N-[2-[[1-[4-(6-amino-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methyl-5-(trifluoromethyl)benzamide;N-[2-[[1-[4-(4-amino-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]prop-2-enyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-(5-amino-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]prop-2-enyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-[2-(dimethylamino)pyrimidin-5-yl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;methane;N-[2-oxo-2-[[1-[4-(6-oxo-1H-pyridin-3-yl)cyclohexyl]azetidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide;N-[2-oxo-2-[[1-(4-pyrazin-2-ylcyclohexyl)azetidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 2927.30 g/mol, XLogP of 21.23, 39 rotatable bonds, 16 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-[4-(6-amino-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-methyl-5-(trifluoromethyl)benzamide;N-[2-[[1-[4-(4-amino-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]prop-2-enyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-(5-amino-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]prop-2-enyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-[2-(dimethylamino)pyrimidin-5-yl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;methane;N-[2-oxo-2-[[1-[4-(6-oxo-1H-pyridin-3-yl)cyclohexyl]azetidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide;N-[2-oxo-2-[[1-(4-pyrazin-2-ylcyclohexyl)azetidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 159698163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).