N-[2-[[1-[4-(6-amino-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[1-[4-(2-amino-3-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[1-[3-(trifluoromethyl)phenyl]ethenylamino]acetamide;N-[2-[[1-[4-[4-(dimethylamino)-3-pyridinyl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-[4-(methylamino)-3-pyridinyl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide

C100H120F12N20O7 — CID 91115054

IUPACN-[2-[[1-[4-(6-amino-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[1-[4-(2-amino-3-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[1-[3-(trifluoromethyl)phenyl]ethenylamino]acetamide;N-[2-[[1-[4-[4-(dimethylamino)-3-pyridinyl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-[4-(methylamino)-3-pyridinyl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
SMILESC=C(NCC(=O)NC1CN(C2CCC(c3cccnc3N)CC2)C1)c1cccc(C(F)(F)F)c1.CN(C)c1ccncc1C1CCC(N2CC(NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1.CNc1ccncc1C1CCC(N2CC(NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1.Nc1ccc(C2CCC(N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1
InChIInChI=1S/C26H32F3N5O2.C25H30F3N5O2.C25H30F3N5O.C24H28F3N5O2/c1-33(2)23-10-11-30-13-22(23)17-6-8-21(9-7-17)34-15-20(16-34)32-24(35)14-31-25(36)18-4-3-5-19(12-18)26(27,28)29;1-29-22-9-10-30-12-21(22)16-5-7-20(8-6-16)33-14-19(15-33)32-23(34)13-31-24(35)17-3-2-4-18(11-17)25(26,27)28;1-16(18-4-2-5-19(12-18)25(26,27)28)31-13-23(34)32-20-14-33(15-20)21-9-7-17(8-10-21)22-6-3-11-30-24(22)29;25-24(26,27)18-3-1-2-16(10-18)23(34)30-12-22(33)31-19-13-32(14-19)20-7-4-15(5-8-20)17-6-9-21(28)29-11-17/h3-5,10-13,17,20-21H,6-9,14-16H2,1-2H3,(H,31,36)(H,32,35);2-4,9-12,16,19-20H,5-8,13-15H2,1H3,(H,29,30)(H,31,35)(H,32,34);2-6,11-12,17,20-21,31H,1,7-10,13-15H2,(H2,29,30)(H,32,34);1-3,6,9-11,15,19-20H,4-5,7-8,12-14H2,(H2,28,29)(H,30,34)(H,31,33)
InChIKeyQBWMWFLSFPIHCB-UHFFFAOYSA-N
MW1942.17 g/mol
LogP13.53
Rot. Bonds27

About N-[2-[[1-[4-(6-amino-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[1-[4-(2-amino-3-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[1-[3-(trifluoromethyl)phenyl]ethenylamino]acetamide;N-[2-[[1-[4-[4-(dimethylamino)-3-pyridinyl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-[4-(methylamino)-3-pyridinyl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide

N-[2-[[1-[4-(6-amino-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[1-[4-(2-amino-3-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[1-[3-(trifluoromethyl)phenyl]ethenylamino]acetamide;N-[2-[[1-[4-[4-(dimethylamino)-3-pyridinyl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-[4-(methylamino)-3-pyridinyl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide (PubChem CID 91115054) has the molecular formula C100H120F12N20O7 and a molecular weight of 1942.17 g/mol. Its IUPAC name is N-[2-[[1-[4-(6-amino-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[1-[4-(2-amino-3-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[1-[3-(trifluoromethyl)phenyl]ethenylamino]acetamide;N-[2-[[1-[4-[4-(dimethylamino)-3-pyridinyl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-[4-(methylamino)-3-pyridinyl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[[1-[4-(6-amino-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[1-[4-(2-amino-3-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[1-[3-(trifluoromethyl)phenyl]ethenylamino]acetamide;N-[2-[[1-[4-[4-(dimethylamino)-3-pyridinyl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-[4-(methylamino)-3-pyridinyl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
PubChem CID91115054
Molecular FormulaC100H120F12N20O7
Molecular Weight1942.17 g/mol
Exact Mass1940.95
IUPAC NameN-[2-[[1-[4-(6-amino-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[1-[4-(2-amino-3-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[1-[3-(trifluoromethyl)phenyl]ethenylamino]acetamide;N-[2-[[1-[4-[4-(dimethylamino)-3-pyridinyl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-[4-(methylamino)-3-pyridinyl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
SMILESC=C(NCC(=O)NC1CN(C2CCC(c3cccnc3N)CC2)C1)c1cccc(C(F)(F)F)c1.CN(C)c1ccncc1C1CCC(N2CC(NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1.CNc1ccncc1C1CCC(N2CC(NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1.Nc1ccc(C2CCC(N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1
InChIInChI=1S/C26H32F3N5O2.C25H30F3N5O2.C25H30F3N5O.C24H28F3N5O2/c1-33(2)23-10-11-30-13-22(23)17-6-8-21(9-7-17)34-15-20(16-34)32-24(35)14-31-25(36)18-4-3-5-19(12-18)26(27,28)29;1-29-22-9-10-30-12-21(22)16-5-7-20(8-6-16)33-14-19(15-33)32-23(34)13-31-24(35)17-3-2-4-18(11-17)25(26,27)28;1-16(18-4-2-5-19(12-18)25(26,27)28)31-13-23(34)32-20-14-33(15-20)21-9-7-17(8-10-21)22-6-3-11-30-24(22)29;25-24(26,27)18-3-1-2-16(10-18)23(34)30-12-22(33)31-19-13-32(14-19)20-7-4-15(5-8-20)17-6-9-21(28)29-11-17/h3-5,10-13,17,20-21H,6-9,14-16H2,1-2H3,(H,31,36)(H,32,35);2-4,9-12,16,19-20H,5-8,13-15H2,1H3,(H,29,30)(H,31,35)(H,32,34);2-6,11-12,17,20-21,31H,1,7-10,13-15H2,(H2,29,30)(H,32,34);1-3,6,9-11,15,19-20H,4-5,7-8,12-14H2,(H2,28,29)(H,30,34)(H,31,33)
InChIKeyQBWMWFLSFPIHCB-UHFFFAOYSA-N
XLogP13.53
TPSA347.56 Ų
H-Bond Donors11
H-Bond Acceptors20
Rotatable Bonds27
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001942.17
LogP ≤ 513.53
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1020

Analyze N-[2-[[1-[4-(6-amino-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[1-[4-(2-amino-3-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[1-[3-(trifluoromethyl)phenyl]ethenylamino]acetamide;N-[2-[[1-[4-[4-(dimethylamino)-3-pyridinyl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-[4-(methylamino)-3-pyridinyl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-[4-(6-amino-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[1-[4-(2-amino-3-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[1-[3-(trifluoromethyl)phenyl]ethenylamino]acetamide;N-[2-[[1-[4-[4-(dimethylamino)-3-pyridinyl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-[4-(methylamino)-3-pyridinyl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[[1-[4-(6-amino-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[1-[4-(2-amino-3-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[1-[3-(trifluoromethyl)phenyl]ethenylamino]acetamide;N-[2-[[1-[4-[4-(dimethylamino)-3-pyridinyl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-[4-(methylamino)-3-pyridinyl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide (CID 91115054) is N-[2-[[1-[4-(6-amino-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[1-[4-(2-amino-3-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[1-[3-(trifluoromethyl)phenyl]ethenylamino]acetamide;N-[2-[[1-[4-[4-(dimethylamino)-3-pyridinyl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-[4-(methylamino)-3-pyridinyl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[[1-[4-(6-amino-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[1-[4-(2-amino-3-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[1-[3-(trifluoromethyl)phenyl]ethenylamino]acetamide;N-[2-[[1-[4-[4-(dimethylamino)-3-pyridinyl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-[4-(methylamino)-3-pyridinyl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[[1-[4-(6-amino-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[1-[4-(2-amino-3-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[1-[3-(trifluoromethyl)phenyl]ethenylamino]acetamide;N-[2-[[1-[4-[4-(dimethylamino)-3-pyridinyl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-[4-(methylamino)-3-pyridinyl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide is C=C(NCC(=O)NC1CN(C2CCC(c3cccnc3N)CC2)C1)c1cccc(C(F)(F)F)c1.CN(C)c1ccncc1C1CCC(N2CC(NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1.CNc1ccncc1C1CCC(N2CC(NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1.Nc1ccc(C2CCC(N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1.
What is the InChIKey of N-[2-[[1-[4-(6-amino-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[1-[4-(2-amino-3-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[1-[3-(trifluoromethyl)phenyl]ethenylamino]acetamide;N-[2-[[1-[4-[4-(dimethylamino)-3-pyridinyl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-[4-(methylamino)-3-pyridinyl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is QBWMWFLSFPIHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F3N5O2.C25H30F3N5O2.C25H30F3N5O.C24H28F3N5O2/c1-33(2)23-10-11-30-13-22(23)17-6-8-21(9-7-17)34-15-20(16-34)32-24(35)14-31-25(36)18-4-3-5-19(12-18)26(27,28)29;1-29-22-9-10-30-12-21(22)16-5-7-20(8-6-16)33-14-19(15-33)32-23(34)13-31-24(35)17-3-2-4-18(11-17)25(26,27)28;1-16(18-4-2-5-19(12-18)25(26,27)28)31-13-23(34)32-20-14-33(15-20)21-9-7-17(8-10-21)22-6-3-11-30-24(22)29;25-24(26,27)18-3-1-2-16(10-18)23(34)30-12-22(33)31-19-13-32(14-19)20-7-4-15(5-8-20)17-6-9-21(28)29-11-17/h3-5,10-13,17,20-21H,6-9,14-16H2,1-2H3,(H,31,36)(H,32,35);2-4,9-12,16,19-20H,5-8,13-15H2,1H3,(H,29,30)(H,31,35)(H,32,34);2-6,11-12,17,20-21,31H,1,7-10,13-15H2,(H2,29,30)(H,32,34);1-3,6,9-11,15,19-20H,4-5,7-8,12-14H2,(H2,28,29)(H,30,34)(H,31,33).
What are the key properties of N-[2-[[1-[4-(6-amino-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[1-[4-(2-amino-3-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[1-[3-(trifluoromethyl)phenyl]ethenylamino]acetamide;N-[2-[[1-[4-[4-(dimethylamino)-3-pyridinyl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-[4-(methylamino)-3-pyridinyl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide?
N-[2-[[1-[4-(6-amino-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[1-[4-(2-amino-3-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[1-[3-(trifluoromethyl)phenyl]ethenylamino]acetamide;N-[2-[[1-[4-[4-(dimethylamino)-3-pyridinyl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-[4-(methylamino)-3-pyridinyl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 1942.17 g/mol, XLogP of 13.53, 27 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-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[1-[4-(2-amino-3-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[1-[3-(trifluoromethyl)phenyl]ethenylamino]acetamide;N-[2-[[1-[4-[4-(dimethylamino)-3-pyridinyl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-[4-(methylamino)-3-pyridinyl]cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 91115054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).