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-oxo-2-[[1-(4-pyrazin-2-ylcyclohexyl)azetidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide

C98H116F12N20O6 — CID 90923087

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-oxo-2-[[1-(4-pyrazin-2-ylcyclohexyl)azetidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide
SMILESC=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.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(c3cnccn3)CC2)C1
InChIInChI=1S/C25H30F3N5O2.2C25H30F3N5O.C23H26F3N5O2/c1-15-9-17(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;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/h2-4,9-11,16,19-20H,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);1-3,8-11,15,18-19H,4-7,12-14H2,(H,29,33)(H,30,32)
InChIKeyZGLOIQMQUIOJHB-UHFFFAOYSA-N
MW1898.12 g/mol
LogP13.85
Rot. Bonds26

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-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-oxo-2-[[1-(4-pyrazin-2-ylcyclohexyl)azetidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide (PubChem CID 90923087) has the molecular formula C98H116F12N20O6 and a molecular weight of 1898.12 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-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-oxo-2-[[1-(4-pyrazin-2-ylcyclohexyl)azetidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide
PubChem CID90923087
Molecular FormulaC98H116F12N20O6
Molecular Weight1898.12 g/mol
Exact Mass1896.92
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-oxo-2-[[1-(4-pyrazin-2-ylcyclohexyl)azetidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide
SMILESC=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.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(c3cnccn3)CC2)C1
InChIInChI=1S/C25H30F3N5O2.2C25H30F3N5O.C23H26F3N5O2/c1-15-9-17(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;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/h2-4,9-11,16,19-20H,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);1-3,8-11,15,18-19H,4-7,12-14H2,(H,29,33)(H,30,32)
InChIKeyZGLOIQMQUIOJHB-UHFFFAOYSA-N
XLogP13.85
TPSA354.13 Ų
H-Bond Donors11
H-Bond Acceptors20
Rotatable Bonds26
Heavy Atoms136
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001898.12
LogP ≤ 513.85
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1020

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-oxo-2-[[1-(4-pyrazin-2-ylcyclohexyl)azetidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide with MolForge

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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-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-oxo-2-[[1-(4-pyrazin-2-ylcyclohexyl)azetidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide (CID 90923087) 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-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-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-oxo-2-[[1-(4-pyrazin-2-ylcyclohexyl)azetidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide is 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.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(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-oxo-2-[[1-(4-pyrazin-2-ylcyclohexyl)azetidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is ZGLOIQMQUIOJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F3N5O2.2C25H30F3N5O.C23H26F3N5O2/c1-15-9-17(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;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/h2-4,9-11,16,19-20H,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);1-3,8-11,15,18-19H,4-7,12-14H2,(H,29,33)(H,30,32).
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-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-oxo-2-[[1-(4-pyrazin-2-ylcyclohexyl)azetidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 1898.12 g/mol, XLogP of 13.85, 26 rotatable bonds, 11 hydrogen bond donors, and 20 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-oxo-2-[[1-(4-pyrazin-2-ylcyclohexyl)azetidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 90923087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).