N-[4-[2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]acetyl]-2-pyridinyl]acetamide;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-(6-amino-3-pyridinyl)ethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-(6-methyl-3-pyridinyl)ethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-pyridin-3-ylethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-pyridin-4-ylethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone

C149H175Cl7F3N17O8 — CID 158880238

IUPACN-[4-[2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]acetyl]-2-pyridinyl]acetamide;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-(6-amino-3-pyridinyl)ethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-(6-methyl-3-pyridinyl)ethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-pyridin-3-ylethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-pyridin-4-ylethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone
SMILESCC(=O)Nc1cc(C(=O)CC2CCC(CN)(c3cccc(Cl)c3)CC2)ccn1.Cc1ccc(C(=O)CC2CCC(CN)(c3cccc(Cl)c3)CC2)cn1.NCC1(c2cccc(Cl)c2)CCC(CC(=O)c2ccc(C(F)(F)F)nc2)CC1.NCC1(c2cccc(Cl)c2)CCC(CC(=O)c2ccc(N)nc2)CC1.NCC1(c2cccc(Cl)c2)CCC(CC(=O)c2cccnc2)CC1.NCC1(c2cccc(Cl)c2)CCC(CC(=O)c2ccnc(N3CCCCC3)c2)CC1.NCC1(c2cccc(Cl)c2)CCC(CC(=O)c2ccncc2)CC1
InChIInChI=1S/C25H32ClN3O.C22H26ClN3O2.C21H22ClF3N2O.C21H25ClN2O.C20H24ClN3O.2C20H23ClN2O/c26-22-6-4-5-21(17-22)25(18-27)10-7-19(8-11-25)15-23(30)20-9-12-28-24(16-20)29-13-2-1-3-14-29;1-15(27)26-21-12-17(7-10-25-21)20(28)11-16-5-8-22(14-24,9-6-16)18-3-2-4-19(23)13-18;22-17-3-1-2-16(11-17)20(13-26)8-6-14(7-9-20)10-18(28)15-4-5-19(27-12-15)21(23,24)25;1-15-5-6-17(13-24-15)20(25)11-16-7-9-21(14-23,10-8-16)18-3-2-4-19(22)12-18;21-17-3-1-2-16(11-17)20(13-22)8-6-14(7-9-20)10-18(25)15-4-5-19(23)24-12-15;21-18-5-1-4-17(12-18)20(14-22)8-6-15(7-9-20)11-19(24)16-3-2-10-23-13-16;21-18-3-1-2-17(13-18)20(14-22)8-4-15(5-9-20)12-19(24)16-6-10-23-11-7-16/h4-6,9,12,16-17,19H,1-3,7-8,10-11,13-15,18,27H2;2-4,7,10,12-13,16H,5-6,8-9,11,14,24H2,1H3,(H,25,26,27);1-5,11-12,14H,6-10,13,26H2;2-6,12-13,16H,7-11,14,23H2,1H3;1-5,11-12,14H,6-10,13,22H2,(H2,23,24);1-5,10,12-13,15H,6-9,11,14,22H2;1-3,6-7,10-11,13,15H,4-5,8-9,12,14,22H2
InChIKeyJCYDGSQDJWDGER-UHFFFAOYSA-N
MW2637.31 g/mol
LogP32.62
Rot. Bonds37

About N-[4-[2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]acetyl]-2-pyridinyl]acetamide;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-(6-amino-3-pyridinyl)ethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-(6-methyl-3-pyridinyl)ethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-pyridin-3-ylethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-pyridin-4-ylethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone

N-[4-[2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]acetyl]-2-pyridinyl]acetamide;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-(6-amino-3-pyridinyl)ethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-(6-methyl-3-pyridinyl)ethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-pyridin-3-ylethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-pyridin-4-ylethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone (PubChem CID 158880238) has the molecular formula C149H175Cl7F3N17O8 and a molecular weight of 2637.31 g/mol. Its IUPAC name is N-[4-[2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]acetyl]-2-pyridinyl]acetamide;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-(6-amino-3-pyridinyl)ethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-(6-methyl-3-pyridinyl)ethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-pyridin-3-ylethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-pyridin-4-ylethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone.

Molecular Properties

Compound NameN-[4-[2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]acetyl]-2-pyridinyl]acetamide;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-(6-amino-3-pyridinyl)ethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-(6-methyl-3-pyridinyl)ethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-pyridin-3-ylethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-pyridin-4-ylethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone
PubChem CID158880238
Molecular FormulaC149H175Cl7F3N17O8
Molecular Weight2637.31 g/mol
Exact Mass2632.16
IUPAC NameN-[4-[2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]acetyl]-2-pyridinyl]acetamide;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-(6-amino-3-pyridinyl)ethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-(6-methyl-3-pyridinyl)ethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-pyridin-3-ylethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-pyridin-4-ylethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone
SMILESCC(=O)Nc1cc(C(=O)CC2CCC(CN)(c3cccc(Cl)c3)CC2)ccn1.Cc1ccc(C(=O)CC2CCC(CN)(c3cccc(Cl)c3)CC2)cn1.NCC1(c2cccc(Cl)c2)CCC(CC(=O)c2ccc(C(F)(F)F)nc2)CC1.NCC1(c2cccc(Cl)c2)CCC(CC(=O)c2ccc(N)nc2)CC1.NCC1(c2cccc(Cl)c2)CCC(CC(=O)c2cccnc2)CC1.NCC1(c2cccc(Cl)c2)CCC(CC(=O)c2ccnc(N3CCCCC3)c2)CC1.NCC1(c2cccc(Cl)c2)CCC(CC(=O)c2ccncc2)CC1
InChIInChI=1S/C25H32ClN3O.C22H26ClN3O2.C21H22ClF3N2O.C21H25ClN2O.C20H24ClN3O.2C20H23ClN2O/c26-22-6-4-5-21(17-22)25(18-27)10-7-19(8-11-25)15-23(30)20-9-12-28-24(16-20)29-13-2-1-3-14-29;1-15(27)26-21-12-17(7-10-25-21)20(28)11-16-5-8-22(14-24,9-6-16)18-3-2-4-19(23)13-18;22-17-3-1-2-16(11-17)20(13-26)8-6-14(7-9-20)10-18(28)15-4-5-19(27-12-15)21(23,24)25;1-15-5-6-17(13-24-15)20(25)11-16-7-9-21(14-23,10-8-16)18-3-2-4-19(22)12-18;21-17-3-1-2-16(11-17)20(13-22)8-6-14(7-9-20)10-18(25)15-4-5-19(23)24-12-15;21-18-5-1-4-17(12-18)20(14-22)8-6-15(7-9-20)11-19(24)16-3-2-10-23-13-16;21-18-3-1-2-17(13-18)20(14-22)8-4-15(5-9-20)12-19(24)16-6-10-23-11-7-16/h4-6,9,12,16-17,19H,1-3,7-8,10-11,13-15,18,27H2;2-4,7,10,12-13,16H,5-6,8-9,11,14,24H2,1H3,(H,25,26,27);1-5,11-12,14H,6-10,13,26H2;2-6,12-13,16H,7-11,14,23H2,1H3;1-5,11-12,14H,6-10,13,22H2,(H2,23,24);1-5,10,12-13,15H,6-9,11,14,22H2;1-3,6-7,10-11,13,15H,4-5,8-9,12,14,22H2
InChIKeyJCYDGSQDJWDGER-UHFFFAOYSA-N
XLogP32.62
TPSA450.22 Ų
H-Bond Donors9
H-Bond Acceptors24
Rotatable Bonds37
Heavy Atoms184
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002637.31
LogP ≤ 532.62
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1024

Analyze N-[4-[2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]acetyl]-2-pyridinyl]acetamide;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-(6-amino-3-pyridinyl)ethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-(6-methyl-3-pyridinyl)ethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-pyridin-3-ylethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-pyridin-4-ylethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone with MolForge

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Related Compounds

(3-Chlorophenyl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 119099030
3-[4-[[5-Chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]methyl]cyclohexyl]-1-pyridin-3-ylpropan-1-one
CID 58127143
6-(3-chloro-5-methylphenyl)-7-[3-[6-[2-(4-fluorophenyl)-5-oxo-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]phenyl]-1H-1,8-naphthyridin-2-one
CID 155170923
6-[3-[[3-(6-benzamido-5-oxo-3-quinolin-6-yl-8H-1,8-naphthyridin-2-yl)phenyl]methyl]-1-chloroisoquinolin-6-yl]-N-benzyl-7-[3-[8-chloro-6-(4-fluoro-5-oxo-2-phenyl-8H-1,8-naphthyridin-3-yl)quinolin-3-yl]-4-fluorophenyl]-4-oxo-1H-1,8-naphthyridine-3-carboxamide
CID 155170990
5-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-methylpropylamino)pyridine-3-carboxamide;N-[4-chloro-3-(4-ethyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-morpholin-4-ylpropylamino)pyridine-3-carboxamide
CID 157054989
N-[4-chloro-3-(5-fluoro-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(5-phenyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide
CID 157120967
1-[3-chloro-5-(1-hydroxypropan-2-yl)-2-pyridinyl]-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide;4-(3-chloro-2-pyridinyl)-2-methyl-N-(4-methylphenyl)piperazine-1-carboxamide;1-(3-chloro-2-pyridinyl)-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-methylphenyl)piperazine-1-carboxamide;2-methyl-N-(4-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;N-(4-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide;N-(4-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 157225509
2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N-methyl-2-[[2-[(3-methyl-2-pyridinyl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide);3-methylpyridin-2-amine
CID 157235212
(2-Amino-3-pyridinyl)-[6-[3-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-chloro-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-[3-(1,1-difluoroethyl)phenyl]piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone
CID 157302654
2-[6-(2-chloro-6-methyl-4-pyridinyl)-4-oxo-7-phenyl-1H-1,8-naphthyridin-2-yl]-N-(4-methylphenyl)acetamide;6-(2-chloro-6-methyl-4-pyridinyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-3-phenacyl-7-phenyl-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-5-(1,1,1-trifluoropropan-2-yl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-2-(3,3,3-trifluoropropyl)-1H-1,8-naphthyridin-4-one;6-(2-chloro-6-methyl-4-pyridinyl)-7-phenyl-3-(3,3,3-trifluoropropyl)-1H-1,8-naphthyridin-4-one
CID 157315532
(2-amino-3-pyridinyl)-[3-ethenyl-6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-phenylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R)-3-phenylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R,5S)-3-phenyl-5-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
CID 157381281
N-[5-(2-chlorophenyl)-2-pyridinyl]pyridine-3-carboxamide;N-[5-(3-chlorophenyl)-2-pyridinyl]pyridine-3-carboxamide;N-[5-(4-chlorophenyl)-2-pyridinyl]pyridine-3-carboxamide;2-methyl-N-(5-phenyl-2-pyridinyl)pyrimidine-5-carboxamide;N-[5-[5-methyl-2-(trifluoromethyl)phenyl]-2-pyridinyl]pyridine-3-carboxamide;N-(5-phenyl-2-pyridinyl)pyridine-3-carboxamide
CID 157413403

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]acetyl]-2-pyridinyl]acetamide;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-(6-amino-3-pyridinyl)ethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-(6-methyl-3-pyridinyl)ethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-pyridin-3-ylethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-pyridin-4-ylethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone?
The IUPAC name of N-[4-[2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]acetyl]-2-pyridinyl]acetamide;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-(6-amino-3-pyridinyl)ethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-(6-methyl-3-pyridinyl)ethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-pyridin-3-ylethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-pyridin-4-ylethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone (CID 158880238) is N-[4-[2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]acetyl]-2-pyridinyl]acetamide;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-(6-amino-3-pyridinyl)ethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-(6-methyl-3-pyridinyl)ethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-pyridin-3-ylethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-pyridin-4-ylethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone.
What is the SMILES notation for N-[4-[2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]acetyl]-2-pyridinyl]acetamide;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-(6-amino-3-pyridinyl)ethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-(6-methyl-3-pyridinyl)ethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-pyridin-3-ylethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-pyridin-4-ylethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone?
The canonical SMILES for N-[4-[2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]acetyl]-2-pyridinyl]acetamide;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-(6-amino-3-pyridinyl)ethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-(6-methyl-3-pyridinyl)ethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-pyridin-3-ylethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-pyridin-4-ylethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone is CC(=O)Nc1cc(C(=O)CC2CCC(CN)(c3cccc(Cl)c3)CC2)ccn1.Cc1ccc(C(=O)CC2CCC(CN)(c3cccc(Cl)c3)CC2)cn1.NCC1(c2cccc(Cl)c2)CCC(CC(=O)c2ccc(C(F)(F)F)nc2)CC1.NCC1(c2cccc(Cl)c2)CCC(CC(=O)c2ccc(N)nc2)CC1.NCC1(c2cccc(Cl)c2)CCC(CC(=O)c2cccnc2)CC1.NCC1(c2cccc(Cl)c2)CCC(CC(=O)c2ccnc(N3CCCCC3)c2)CC1.NCC1(c2cccc(Cl)c2)CCC(CC(=O)c2ccncc2)CC1.
What is the InChIKey of N-[4-[2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]acetyl]-2-pyridinyl]acetamide;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-(6-amino-3-pyridinyl)ethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-(6-methyl-3-pyridinyl)ethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-pyridin-3-ylethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-pyridin-4-ylethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone?
The InChIKey is JCYDGSQDJWDGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClN3O.C22H26ClN3O2.C21H22ClF3N2O.C21H25ClN2O.C20H24ClN3O.2C20H23ClN2O/c26-22-6-4-5-21(17-22)25(18-27)10-7-19(8-11-25)15-23(30)20-9-12-28-24(16-20)29-13-2-1-3-14-29;1-15(27)26-21-12-17(7-10-25-21)20(28)11-16-5-8-22(14-24,9-6-16)18-3-2-4-19(23)13-18;22-17-3-1-2-16(11-17)20(13-26)8-6-14(7-9-20)10-18(28)15-4-5-19(27-12-15)21(23,24)25;1-15-5-6-17(13-24-15)20(25)11-16-7-9-21(14-23,10-8-16)18-3-2-4-19(22)12-18;21-17-3-1-2-16(11-17)20(13-22)8-6-14(7-9-20)10-18(25)15-4-5-19(23)24-12-15;21-18-5-1-4-17(12-18)20(14-22)8-6-15(7-9-20)11-19(24)16-3-2-10-23-13-16;21-18-3-1-2-17(13-18)20(14-22)8-4-15(5-9-20)12-19(24)16-6-10-23-11-7-16/h4-6,9,12,16-17,19H,1-3,7-8,10-11,13-15,18,27H2;2-4,7,10,12-13,16H,5-6,8-9,11,14,24H2,1H3,(H,25,26,27);1-5,11-12,14H,6-10,13,26H2;2-6,12-13,16H,7-11,14,23H2,1H3;1-5,11-12,14H,6-10,13,22H2,(H2,23,24);1-5,10,12-13,15H,6-9,11,14,22H2;1-3,6-7,10-11,13,15H,4-5,8-9,12,14,22H2.
What are the key properties of N-[4-[2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]acetyl]-2-pyridinyl]acetamide;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-(6-amino-3-pyridinyl)ethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-(6-methyl-3-pyridinyl)ethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-pyridin-3-ylethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-pyridin-4-ylethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone?
N-[4-[2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]acetyl]-2-pyridinyl]acetamide;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-(6-amino-3-pyridinyl)ethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-(6-methyl-3-pyridinyl)ethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-pyridin-3-ylethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-pyridin-4-ylethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone has a molecular weight of 2637.31 g/mol, XLogP of 32.62, 37 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]acetyl]-2-pyridinyl]acetamide;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-(6-amino-3-pyridinyl)ethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-(6-methyl-3-pyridinyl)ethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-pyridin-3-ylethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-pyridin-4-ylethanone;2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone is sourced from PubChem (CID 158880238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).