N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-methylpyridazine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-methylpyridazine-4-carboxamide;1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(2-pyridin-4-ylethyl)acetamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C97H119Cl5F3N19O4 — CID 161387062

IUPACN-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-methylpyridazine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-methylpyridazine-4-carboxamide;1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(2-pyridin-4-ylethyl)acetamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCC(=O)N(CCc1ccncc1)C1CCC(CN)(c2cccc(Cl)c2)CC1.CN(C(=O)c1cccnn1)C1CCC(CN)(c2cccc(Cl)c2)CC1.CN(C(=O)c1ccnnc1)C1CCC(CN)(c2cccc(Cl)c2)CC1.NCC1(c2cccc(Cl)c2)CCC(N2CCCCC2=O)CC1.NCC1(c2cccc(Cl)c2)CCC(Nc2ccc3nnc(C(F)(F)F)n3n2)CC1
InChIInChI=1S/C22H28ClN3O.C19H20ClF3N6.2C19H23ClN4O.C18H25ClN2O/c1-17(27)26(14-9-18-7-12-25-13-8-18)21-5-10-22(16-24,11-6-21)19-3-2-4-20(23)15-19;20-13-3-1-2-12(10-13)18(11-24)8-6-14(7-9-18)25-15-4-5-16-26-27-17(19(21,22)23)29(16)28-15;1-24(18(25)17-6-3-11-22-23-17)16-7-9-19(13-21,10-8-16)14-4-2-5-15(20)12-14;1-24(18(25)14-7-10-22-23-12-14)17-5-8-19(13-21,9-6-17)15-3-2-4-16(20)11-15;19-15-5-3-4-14(12-15)18(13-20)9-7-16(8-10-18)21-11-2-1-6-17(21)22/h2-4,7-8,12-13,15,21H,5-6,9-11,14,16,24H2,1H3;1-5,10,14H,6-9,11,24H2,(H,25,28);2-6,11-12,16H,7-10,13,21H2,1H3;2-4,7,10-12,17H,5-6,8-9,13,21H2,1H3;3-5,12,16H,1-2,6-11,13,20H2
InChIKeyVSMIOQUXSVJTCX-UHFFFAOYSA-N
MW1849.41 g/mol
LogP17.59
Rot. Bonds21

About N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-methylpyridazine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-methylpyridazine-4-carboxamide;1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(2-pyridin-4-ylethyl)acetamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-methylpyridazine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-methylpyridazine-4-carboxamide;1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(2-pyridin-4-ylethyl)acetamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 161387062) has the molecular formula C97H119Cl5F3N19O4 and a molecular weight of 1849.41 g/mol. Its IUPAC name is N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-methylpyridazine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-methylpyridazine-4-carboxamide;1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(2-pyridin-4-ylethyl)acetamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-methylpyridazine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-methylpyridazine-4-carboxamide;1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(2-pyridin-4-ylethyl)acetamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID161387062
Molecular FormulaC97H119Cl5F3N19O4
Molecular Weight1849.41 g/mol
Exact Mass1845.81
IUPAC NameN-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-methylpyridazine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-methylpyridazine-4-carboxamide;1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(2-pyridin-4-ylethyl)acetamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCC(=O)N(CCc1ccncc1)C1CCC(CN)(c2cccc(Cl)c2)CC1.CN(C(=O)c1cccnn1)C1CCC(CN)(c2cccc(Cl)c2)CC1.CN(C(=O)c1ccnnc1)C1CCC(CN)(c2cccc(Cl)c2)CC1.NCC1(c2cccc(Cl)c2)CCC(N2CCCCC2=O)CC1.NCC1(c2cccc(Cl)c2)CCC(Nc2ccc3nnc(C(F)(F)F)n3n2)CC1
InChIInChI=1S/C22H28ClN3O.C19H20ClF3N6.2C19H23ClN4O.C18H25ClN2O/c1-17(27)26(14-9-18-7-12-25-13-8-18)21-5-10-22(16-24,11-6-21)19-3-2-4-20(23)15-19;20-13-3-1-2-12(10-13)18(11-24)8-6-14(7-9-18)25-15-4-5-16-26-27-17(19(21,22)23)29(16)28-15;1-24(18(25)17-6-3-11-22-23-17)16-7-9-19(13-21,10-8-16)14-4-2-5-15(20)12-14;1-24(18(25)14-7-10-22-23-12-14)17-5-8-19(13-21,9-6-17)15-3-2-4-16(20)11-15;19-15-5-3-4-14(12-15)18(13-20)9-7-16(8-10-18)21-11-2-1-6-17(21)22/h2-4,7-8,12-13,15,21H,5-6,9-11,14,16,24H2,1H3;1-5,10,14H,6-9,11,24H2,(H,25,28);2-6,11-12,16H,7-10,13,21H2,1H3;2-4,7,10-12,17H,5-6,8-9,13,21H2,1H3;3-5,12,16H,1-2,6-11,13,20H2
InChIKeyVSMIOQUXSVJTCX-UHFFFAOYSA-N
XLogP17.59
TPSA330.90 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds21
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001849.41
LogP ≤ 517.59
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Analyze N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-methylpyridazine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-methylpyridazine-4-carboxamide;1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(2-pyridin-4-ylethyl)acetamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine with MolForge

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Related Compounds

US9873709, Example 1-256
CID 117940856
US9873709, Example 1-268
CID 117940761
US9873709, Example 1-299
CID 117950552
[4-[7-(3,4-Dichlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carbonyl]piperazin-1-yl]-[2-(4-fluoroanilino)-3-pyridinyl]methanone
CID 127033648
US20240368194, Example 19
CID 167439979
US20240368194, Example 64
CID 172879077
7-N-(1-azabicyclo[2.2.2]octan-4-ylmethyl)-5-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59462200
N-[4-[[5-fluoro-2-[3-[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenyl]anilino]pyridine-3-carbonyl]amino]cyclohexyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 71013560
[4-[8-Tert-butyl-6-(3-chloro-4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-pyridin-2-ylmethanone
CID 117990929
6-(2-chlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)-7,8-dimethylimidazo[1,2-b]pyridazine-3-carboxamide;ethane;5-methyl-N-[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide
CID 144734781
2-amino-4-[[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]amino]-N-methylpyrimidine-5-carboxamide;2-amino-4-[[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]amino]pyrimidine-5-carbonitrile;2-amino-4-[[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]amino]pyrimidine-5-carboxamide;3-[(1S)-1-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethyl]-8-chloro-2-phenylisoquinolin-1-one;3-[(1S)-1-[[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]-8-chloro-2-phenylisoquinolin-1-one;8-chloro-3-[(1S)-1-[(2,6-diaminopyrimidin-4-yl)amino]ethyl]-2-phenylisoquinolin-1-one;4-[[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]amino]-N-methyl-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide;4-[[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]amino]-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide
CID 157252554
4-[[8-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]benzamide;N,N-dimethyl-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-methyl-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-piperazin-1-ylethyl)-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(piperidin-4-ylmethyl)-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 157390910

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-methylpyridazine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-methylpyridazine-4-carboxamide;1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(2-pyridin-4-ylethyl)acetamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-methylpyridazine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-methylpyridazine-4-carboxamide;1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(2-pyridin-4-ylethyl)acetamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 161387062) is N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-methylpyridazine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-methylpyridazine-4-carboxamide;1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(2-pyridin-4-ylethyl)acetamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-methylpyridazine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-methylpyridazine-4-carboxamide;1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(2-pyridin-4-ylethyl)acetamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-methylpyridazine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-methylpyridazine-4-carboxamide;1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(2-pyridin-4-ylethyl)acetamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CC(=O)N(CCc1ccncc1)C1CCC(CN)(c2cccc(Cl)c2)CC1.CN(C(=O)c1cccnn1)C1CCC(CN)(c2cccc(Cl)c2)CC1.CN(C(=O)c1ccnnc1)C1CCC(CN)(c2cccc(Cl)c2)CC1.NCC1(c2cccc(Cl)c2)CCC(N2CCCCC2=O)CC1.NCC1(c2cccc(Cl)c2)CCC(Nc2ccc3nnc(C(F)(F)F)n3n2)CC1.
What is the InChIKey of N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-methylpyridazine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-methylpyridazine-4-carboxamide;1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(2-pyridin-4-ylethyl)acetamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is VSMIOQUXSVJTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O.C19H20ClF3N6.2C19H23ClN4O.C18H25ClN2O/c1-17(27)26(14-9-18-7-12-25-13-8-18)21-5-10-22(16-24,11-6-21)19-3-2-4-20(23)15-19;20-13-3-1-2-12(10-13)18(11-24)8-6-14(7-9-18)25-15-4-5-16-26-27-17(19(21,22)23)29(16)28-15;1-24(18(25)17-6-3-11-22-23-17)16-7-9-19(13-21,10-8-16)14-4-2-5-15(20)12-14;1-24(18(25)14-7-10-22-23-12-14)17-5-8-19(13-21,9-6-17)15-3-2-4-16(20)11-15;19-15-5-3-4-14(12-15)18(13-20)9-7-16(8-10-18)21-11-2-1-6-17(21)22/h2-4,7-8,12-13,15,21H,5-6,9-11,14,16,24H2,1H3;1-5,10,14H,6-9,11,24H2,(H,25,28);2-6,11-12,16H,7-10,13,21H2,1H3;2-4,7,10-12,17H,5-6,8-9,13,21H2,1H3;3-5,12,16H,1-2,6-11,13,20H2.
What are the key properties of N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-methylpyridazine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-methylpyridazine-4-carboxamide;1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(2-pyridin-4-ylethyl)acetamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-methylpyridazine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-methylpyridazine-4-carboxamide;1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(2-pyridin-4-ylethyl)acetamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 1849.41 g/mol, XLogP of 17.59, 21 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-methylpyridazine-3-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-methylpyridazine-4-carboxamide;1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]piperidin-2-one;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(2-pyridin-4-ylethyl)acetamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 161387062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).