3-amino-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide;N-[[1-[2-(4-methylphenyl)ethylsulfonyl]piperidin-4-yl]methyl]pyrimidine-4-carboxamide;6-oxo-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-1H-pyridine-3-carboxamide;N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide;N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrimidine-4-carboxamide;N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide

C116H148N24O19S6 — CID 157368061

IUPAC3-amino-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide;N-[[1-[2-(4-methylphenyl)ethylsulfonyl]piperidin-4-yl]methyl]pyrimidine-4-carboxamide;6-oxo-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-1H-pyridine-3-carboxamide;N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide;N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrimidine-4-carboxamide;N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide
SMILESCc1ccc(CCS(=O)(=O)N2CCC(CNC(=O)c3ccncn3)CC2)cc1.Nc1nccnc1C(=O)NCC1CCN(S(=O)(=O)CCc2ccccc2)CC1.O=C(NCC1CCN(S(=O)(=O)CCc2ccccc2)CC1)c1ccc(=O)[nH]c1.O=C(NCC1CCN(S(=O)(=O)CCc2ccccc2)CC1)c1ccncn1.O=C(NCC1CCN(S(=O)(=O)CCc2ccccc2)CC1)c1cnccn1.O=C(NCC1CCN(S(=O)(=O)CCc2ccccc2)CC1)c1cncnc1
InChIInChI=1S/C20H26N4O3S.C20H25N3O4S.C19H25N5O3S.3C19H24N4O3S/c1-16-2-4-17(5-3-16)9-13-28(26,27)24-11-7-18(8-12-24)14-22-20(25)19-6-10-21-15-23-19;24-19-7-6-18(15-21-19)20(25)22-14-17-8-11-23(12-9-17)28(26,27)13-10-16-4-2-1-3-5-16;20-18-17(21-9-10-22-18)19(25)23-14-16-6-11-24(12-7-16)28(26,27)13-8-15-4-2-1-3-5-15;24-19(18-15-20-9-10-21-18)22-14-17-6-11-23(12-7-17)27(25,26)13-8-16-4-2-1-3-5-16;24-19(18-6-10-20-15-22-18)21-14-17-7-11-23(12-8-17)27(25,26)13-9-16-4-2-1-3-5-16;24-19(18-13-20-15-21-14-18)22-12-17-6-9-23(10-7-17)27(25,26)11-8-16-4-2-1-3-5-16/h2-6,10,15,18H,7-9,11-14H2,1H3,(H,22,25);1-7,15,17H,8-14H2,(H,21,24)(H,22,25);1-5,9-10,16H,6-8,11-14H2,(H2,20,22)(H,23,25);1-5,9-10,15,17H,6-8,11-14H2,(H,22,24);1-6,10,15,17H,7-9,11-14H2,(H,21,24);1-5,13-15,17H,6-12H2,(H,22,24)
InChIKeyBJKSIXXWCXURPU-UHFFFAOYSA-N
MW2375.01 g/mol
LogP8.73
Rot. Bonds42

About 3-amino-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide;N-[[1-[2-(4-methylphenyl)ethylsulfonyl]piperidin-4-yl]methyl]pyrimidine-4-carboxamide;6-oxo-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-1H-pyridine-3-carboxamide;N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide;N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrimidine-4-carboxamide;N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide

3-amino-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide;N-[[1-[2-(4-methylphenyl)ethylsulfonyl]piperidin-4-yl]methyl]pyrimidine-4-carboxamide;6-oxo-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-1H-pyridine-3-carboxamide;N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide;N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrimidine-4-carboxamide;N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide (PubChem CID 157368061) has the molecular formula C116H148N24O19S6 and a molecular weight of 2375.01 g/mol. Its IUPAC name is 3-amino-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide;N-[[1-[2-(4-methylphenyl)ethylsulfonyl]piperidin-4-yl]methyl]pyrimidine-4-carboxamide;6-oxo-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-1H-pyridine-3-carboxamide;N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide;N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrimidine-4-carboxamide;N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide;N-[[1-[2-(4-methylphenyl)ethylsulfonyl]piperidin-4-yl]methyl]pyrimidine-4-carboxamide;6-oxo-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-1H-pyridine-3-carboxamide;N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide;N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrimidine-4-carboxamide;N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide
PubChem CID157368061
Molecular FormulaC116H148N24O19S6
Molecular Weight2375.01 g/mol
Exact Mass2372.97
IUPAC Name3-amino-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide;N-[[1-[2-(4-methylphenyl)ethylsulfonyl]piperidin-4-yl]methyl]pyrimidine-4-carboxamide;6-oxo-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-1H-pyridine-3-carboxamide;N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide;N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrimidine-4-carboxamide;N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide
SMILESCc1ccc(CCS(=O)(=O)N2CCC(CNC(=O)c3ccncn3)CC2)cc1.Nc1nccnc1C(=O)NCC1CCN(S(=O)(=O)CCc2ccccc2)CC1.O=C(NCC1CCN(S(=O)(=O)CCc2ccccc2)CC1)c1ccc(=O)[nH]c1.O=C(NCC1CCN(S(=O)(=O)CCc2ccccc2)CC1)c1ccncn1.O=C(NCC1CCN(S(=O)(=O)CCc2ccccc2)CC1)c1cnccn1.O=C(NCC1CCN(S(=O)(=O)CCc2ccccc2)CC1)c1cncnc1
InChIInChI=1S/C20H26N4O3S.C20H25N3O4S.C19H25N5O3S.3C19H24N4O3S/c1-16-2-4-17(5-3-16)9-13-28(26,27)24-11-7-18(8-12-24)14-22-20(25)19-6-10-21-15-23-19;24-19-7-6-18(15-21-19)20(25)22-14-17-8-11-23(12-9-17)28(26,27)13-10-16-4-2-1-3-5-16;20-18-17(21-9-10-22-18)19(25)23-14-16-6-11-24(12-7-16)28(26,27)13-8-15-4-2-1-3-5-15;24-19(18-15-20-9-10-21-18)22-14-17-6-11-23(12-7-17)27(25,26)13-8-16-4-2-1-3-5-16;24-19(18-6-10-20-15-22-18)21-14-17-7-11-23(12-8-17)27(25,26)13-9-16-4-2-1-3-5-16;24-19(18-13-20-15-21-14-18)22-12-17-6-9-23(10-7-17)27(25,26)11-8-16-4-2-1-3-5-16/h2-6,10,15,18H,7-9,11-14H2,1H3,(H,22,25);1-7,15,17H,8-14H2,(H,21,24)(H,22,25);1-5,9-10,16H,6-8,11-14H2,(H2,20,22)(H,23,25);1-5,9-10,15,17H,6-8,11-14H2,(H,22,24);1-6,10,15,17H,7-9,11-14H2,(H,21,24);1-5,13-15,17H,6-12H2,(H,22,24)
InChIKeyBJKSIXXWCXURPU-UHFFFAOYSA-N
XLogP8.73
TPSA586.66 Ų
H-Bond Donors8
H-Bond Acceptors30
Rotatable Bonds42
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002375.01
LogP ≤ 58.73
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1030

Analyze 3-amino-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide;N-[[1-[2-(4-methylphenyl)ethylsulfonyl]piperidin-4-yl]methyl]pyrimidine-4-carboxamide;6-oxo-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-1H-pyridine-3-carboxamide;N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide;N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrimidine-4-carboxamide;N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide with MolForge

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Related Compounds

N-[2-acetamido-3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-[(1-acetylpiperidin-4-yl)amino]pyrimidine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(methanesulfonamido)propyl]pyrimidine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)amino]-N-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,3,3-trifluoropropyl]pyrimidine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-piperidin-1-ylpropyl]pyrimidine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(propan-2-ylamino)propyl]pyrimidine-4-carboxamide
CID 158390440
N-[2-acetamido-3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-[(1-acetylpiperidin-4-yl)amino]pyrimidine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(dimethylamino)propyl]pyrimidine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(methanesulfonamido)propyl]pyrimidine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)amino]-N-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,3,3-trifluoropropyl]pyrimidine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-piperidin-1-ylpropyl]pyrimidine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(propan-2-ylamino)propyl]pyrimidine-4-carboxamide
CID 158853789
[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-3,5-difluoropiperidin-1-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone;[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-(2-cyclopropylpyrimidin-5-yl)methanone;1-[4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]piperidin-1-yl]-2-[6-(trifluoromethyl)-2-pyridinyl]ethanone;4-[(1R)-1-amino-2-(2,4,5-trifluorophenyl)ethyl]-N-pyridin-2-ylpiperidine-1-carboxamide;(1R)-1-(1-pyrimidin-5-ylsulfonylpiperidin-4-yl)-2-(2,4,5-trifluorophenyl)ethanamine;(1R)-1-[1-[[6-(trifluoromethyl)-2-pyridinyl]methylsulfonyl]piperidin-4-yl]-2-(2,4,5-trifluorophenyl)ethanamine
CID 159253707
N-(4-butylphenyl)-4-(tert-butylsulfinylamino)benzamide;N-(4-butylphenyl)-4-(tert-butylsulfonylamino)benzamide;N-(4-butylphenyl)-5-chloro-6-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-propylpyrimidine-5-carboxamide;N-(4-butylphenyl)-5-(propan-2-ylsulfonylamino)pyridine-2-carboxamide;N-(4-butylphenyl)-6-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 159334248
N-(4-butylphenyl)-4-(2-chloropropan-2-ylsulfinylamino)benzamide;N-(4-butylphenyl)-4-[2-chloropropan-2-ylsulfinyl(methyl)amino]benzamide;N-(4-butylphenyl)-5-chloro-6-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;N-(4-butylphenyl)-4-methyl-2-(propan-2-ylsulfonylamino)pyrimidine-5-carboxamide;N-(4-butylphenyl)-3-(propan-2-ylsulfonylamino)benzamide;N-(4-butylphenyl)-4-[(propan-2-ylsulfonylamino)methyl]benzamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-propylpyrimidine-5-carboxamide;N-(4-butylphenyl)-5-(propan-2-ylsulfonylamino)pyridine-2-carboxamide;N-(4-butylphenyl)-6-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 159414452
CID 168321339
CID 168321339
N-methyl-N-[1-[1-[5-methyl-6-[(3-pyridin-2-ylcyclohexyl)methylamino]pyrimidine-4-carbonyl]piperidin-4-yl]piperidin-4-yl]methanesulfonamide
CID 68071107
3-amino-N-[4-[2-[4-[5-amino-6-[(2-methylsulfonylpyrimidin-5-yl)carbamoyl]pyrazin-2-yl]phenyl]ethylsulfonimidoyl]phenyl]-6-(4-methylphenyl)pyrazine-2-carboxamide
CID 156816613
3-amino-N-[2-[2-[4-[5-amino-6-[(6-sulfamoyl-3-pyridinyl)carbamoyl]pyrazin-2-yl]phenyl]ethylsulfinyl]pyrimidin-5-yl]-6-(4-methylphenyl)pyrazine-2-carboxamide
CID 156817141
N-(4-aminobutyl)-6-(2-methylpropylamino)pyridine-3-carboxamide;5-[4-(2-aminoethyl)piperidin-1-yl]-N-(2-cyclohexylethyl)pyrazine-2-carboxamide;2-(6-aminohexyl)-N-(2-cyclohexylethyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide;N-(6-aminohexyl)-2-(2-cyclohexylethyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide;1-(6-aminohexyl)-N-(cyclohexylmethyl)pyrrole-2-carboxamide;N-(6-aminohexyl)-1-(cyclohexylmethyl)pyrrole-2-carboxamide;5-(cyclohexylmethylamino)-N-(2-piperidin-4-ylethyl)pyrazine-2-carboxamide
CID 157086339
4-anilino-N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-6-(ethylcarbamoylamino)pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[4-(methylaminosulfanylmethyl)phenyl]pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-[4-(methylcarbamoyl)phenyl]pyridine-3-carboxamide;4-anilino-6-(ethylcarbamoylamino)-N-phenylpyridazine-3-carboxamide;3-anilino-5-(ethylcarbamoylamino)-N-pyridin-3-ylpyrazine-2-carboxamide;dihydrate
CID 157087942
(2S)-2-amino-N-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(2-amino-6-phenylpyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(2-amino-4-pyridinyl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(6-amino-2-pyridinyl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(6-aminopyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-N-[3-(2,6-diaminopyrimidin-4-yl)phenyl]sulfonyl-4-methylpentanamide;(2S)-2-amino-4-methyl-N-(3-pyridin-4-ylphenyl)sulfonylpentanamide
CID 157304475

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide;N-[[1-[2-(4-methylphenyl)ethylsulfonyl]piperidin-4-yl]methyl]pyrimidine-4-carboxamide;6-oxo-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-1H-pyridine-3-carboxamide;N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide;N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrimidine-4-carboxamide;N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide?
The IUPAC name of 3-amino-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide;N-[[1-[2-(4-methylphenyl)ethylsulfonyl]piperidin-4-yl]methyl]pyrimidine-4-carboxamide;6-oxo-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-1H-pyridine-3-carboxamide;N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide;N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrimidine-4-carboxamide;N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide (CID 157368061) is 3-amino-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide;N-[[1-[2-(4-methylphenyl)ethylsulfonyl]piperidin-4-yl]methyl]pyrimidine-4-carboxamide;6-oxo-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-1H-pyridine-3-carboxamide;N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide;N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrimidine-4-carboxamide;N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 3-amino-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide;N-[[1-[2-(4-methylphenyl)ethylsulfonyl]piperidin-4-yl]methyl]pyrimidine-4-carboxamide;6-oxo-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-1H-pyridine-3-carboxamide;N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide;N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrimidine-4-carboxamide;N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 3-amino-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide;N-[[1-[2-(4-methylphenyl)ethylsulfonyl]piperidin-4-yl]methyl]pyrimidine-4-carboxamide;6-oxo-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-1H-pyridine-3-carboxamide;N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide;N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrimidine-4-carboxamide;N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide is Cc1ccc(CCS(=O)(=O)N2CCC(CNC(=O)c3ccncn3)CC2)cc1.Nc1nccnc1C(=O)NCC1CCN(S(=O)(=O)CCc2ccccc2)CC1.O=C(NCC1CCN(S(=O)(=O)CCc2ccccc2)CC1)c1ccc(=O)[nH]c1.O=C(NCC1CCN(S(=O)(=O)CCc2ccccc2)CC1)c1ccncn1.O=C(NCC1CCN(S(=O)(=O)CCc2ccccc2)CC1)c1cnccn1.O=C(NCC1CCN(S(=O)(=O)CCc2ccccc2)CC1)c1cncnc1.
What is the InChIKey of 3-amino-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide;N-[[1-[2-(4-methylphenyl)ethylsulfonyl]piperidin-4-yl]methyl]pyrimidine-4-carboxamide;6-oxo-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-1H-pyridine-3-carboxamide;N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide;N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrimidine-4-carboxamide;N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide?
The InChIKey is BJKSIXXWCXURPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S.C20H25N3O4S.C19H25N5O3S.3C19H24N4O3S/c1-16-2-4-17(5-3-16)9-13-28(26,27)24-11-7-18(8-12-24)14-22-20(25)19-6-10-21-15-23-19;24-19-7-6-18(15-21-19)20(25)22-14-17-8-11-23(12-9-17)28(26,27)13-10-16-4-2-1-3-5-16;20-18-17(21-9-10-22-18)19(25)23-14-16-6-11-24(12-7-16)28(26,27)13-8-15-4-2-1-3-5-15;24-19(18-15-20-9-10-21-18)22-14-17-6-11-23(12-7-17)27(25,26)13-8-16-4-2-1-3-5-16;24-19(18-6-10-20-15-22-18)21-14-17-7-11-23(12-8-17)27(25,26)13-9-16-4-2-1-3-5-16;24-19(18-13-20-15-21-14-18)22-12-17-6-9-23(10-7-17)27(25,26)11-8-16-4-2-1-3-5-16/h2-6,10,15,18H,7-9,11-14H2,1H3,(H,22,25);1-7,15,17H,8-14H2,(H,21,24)(H,22,25);1-5,9-10,16H,6-8,11-14H2,(H2,20,22)(H,23,25);1-5,9-10,15,17H,6-8,11-14H2,(H,22,24);1-6,10,15,17H,7-9,11-14H2,(H,21,24);1-5,13-15,17H,6-12H2,(H,22,24).
What are the key properties of 3-amino-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide;N-[[1-[2-(4-methylphenyl)ethylsulfonyl]piperidin-4-yl]methyl]pyrimidine-4-carboxamide;6-oxo-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-1H-pyridine-3-carboxamide;N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide;N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrimidine-4-carboxamide;N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide?
3-amino-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide;N-[[1-[2-(4-methylphenyl)ethylsulfonyl]piperidin-4-yl]methyl]pyrimidine-4-carboxamide;6-oxo-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-1H-pyridine-3-carboxamide;N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide;N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrimidine-4-carboxamide;N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide has a molecular weight of 2375.01 g/mol, XLogP of 8.73, 42 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide;N-[[1-[2-(4-methylphenyl)ethylsulfonyl]piperidin-4-yl]methyl]pyrimidine-4-carboxamide;6-oxo-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-1H-pyridine-3-carboxamide;N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide;N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrimidine-4-carboxamide;N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 157368061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).