(2R)-4-(3-chloro-5-nitro-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-(2-cyanopropan-2-yl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(4-cyclopentylphenyl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-[isocyano(phenyl)methyl]phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]piperazine-1-carboxamide

C128H141Cl6F6N27O9 — CID 159730250

IUPAC(2R)-4-(3-chloro-5-nitro-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-(2-cyanopropan-2-yl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(4-cyclopentylphenyl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-[isocyano(phenyl)methyl]phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]piperazine-1-carboxamide
SMILESC=C(c1ccc(NC(=O)N2CCN(c3ncccc3Cl)C[C@H]2C)cc1)C(F)(F)F.COCC(C)(C)c1ccc(NC(=O)N2CCN(c3ncccc3Cl)C[C@H]2C)cc1.C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)CCN1C(=O)Nc1ccc(C(F)(F)F)cc1.C[C@@H]1CN(c2ncccc2Cl)CCN1C(=O)Nc1ccc(C(C)(C)C#N)cc1.C[C@@H]1CN(c2ncccc2Cl)CCN1C(=O)Nc1ccc(C2CCCC2)cc1.[C-]#[N+]C(c1ccccc1)c1ccc(NC(=O)N2CCN(c3ncccc3Cl)C[C@H]2C)cc1
InChIInChI=1S/C25H24ClN5O.C22H29ClN4O2.C22H27ClN4O.C21H24ClN5O.C20H20ClF3N4O.C18H17ClF3N5O3/c1-18-17-30(24-22(26)9-6-14-28-24)15-16-31(18)25(32)29-21-12-10-20(11-13-21)23(27-2)19-7-4-3-5-8-19;1-16-14-26(20-19(23)6-5-11-24-20)12-13-27(16)21(28)25-18-9-7-17(8-10-18)22(2,3)15-29-4;1-16-15-26(21-20(23)7-4-12-24-21)13-14-27(16)22(28)25-19-10-8-18(9-11-19)17-5-2-3-6-17;1-15-13-26(19-18(22)5-4-10-24-19)11-12-27(15)20(28)25-17-8-6-16(7-9-17)21(2,3)14-23;1-13-12-27(18-17(21)4-3-9-25-18)10-11-28(13)19(29)26-16-7-5-15(6-8-16)14(2)20(22,23)24;1-11-10-25(16-15(19)8-14(9-23-16)27(29)30)6-7-26(11)17(28)24-13-4-2-12(3-5-13)18(20,21)22/h3-14,18,23H,15-17H2,1H3,(H,29,32);5-11,16H,12-15H2,1-4H3,(H,25,28);4,7-12,16-17H,2-3,5-6,13-15H2,1H3,(H,25,28);4-10,15H,11-13H2,1-3H3,(H,25,28);3-9,13H,2,10-12H2,1H3,(H,26,29);2-5,8-9,11H,6-7,10H2,1H3,(H,24,28)/t18-,23?;2*16-;15-;13-;11-/m111111/s1
InChIKeyNBDNDTDZABAJQQ-ZWMYSALPSA-N
MW2528.42 g/mol
LogP28.76
Rot. Bonds21

About (2R)-4-(3-chloro-5-nitro-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-(2-cyanopropan-2-yl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(4-cyclopentylphenyl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-[isocyano(phenyl)methyl]phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]piperazine-1-carboxamide

(2R)-4-(3-chloro-5-nitro-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-(2-cyanopropan-2-yl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(4-cyclopentylphenyl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-[isocyano(phenyl)methyl]phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]piperazine-1-carboxamide (PubChem CID 159730250) has the molecular formula C128H141Cl6F6N27O9 and a molecular weight of 2528.42 g/mol. Its IUPAC name is (2R)-4-(3-chloro-5-nitro-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-(2-cyanopropan-2-yl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(4-cyclopentylphenyl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-[isocyano(phenyl)methyl]phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name(2R)-4-(3-chloro-5-nitro-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-(2-cyanopropan-2-yl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(4-cyclopentylphenyl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-[isocyano(phenyl)methyl]phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]piperazine-1-carboxamide
PubChem CID159730250
Molecular FormulaC128H141Cl6F6N27O9
Molecular Weight2528.42 g/mol
Exact Mass2523.94
IUPAC Name(2R)-4-(3-chloro-5-nitro-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-(2-cyanopropan-2-yl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(4-cyclopentylphenyl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-[isocyano(phenyl)methyl]phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]piperazine-1-carboxamide
SMILESC=C(c1ccc(NC(=O)N2CCN(c3ncccc3Cl)C[C@H]2C)cc1)C(F)(F)F.COCC(C)(C)c1ccc(NC(=O)N2CCN(c3ncccc3Cl)C[C@H]2C)cc1.C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)CCN1C(=O)Nc1ccc(C(F)(F)F)cc1.C[C@@H]1CN(c2ncccc2Cl)CCN1C(=O)Nc1ccc(C(C)(C)C#N)cc1.C[C@@H]1CN(c2ncccc2Cl)CCN1C(=O)Nc1ccc(C2CCCC2)cc1.[C-]#[N+]C(c1ccccc1)c1ccc(NC(=O)N2CCN(c3ncccc3Cl)C[C@H]2C)cc1
InChIInChI=1S/C25H24ClN5O.C22H29ClN4O2.C22H27ClN4O.C21H24ClN5O.C20H20ClF3N4O.C18H17ClF3N5O3/c1-18-17-30(24-22(26)9-6-14-28-24)15-16-31(18)25(32)29-21-12-10-20(11-13-21)23(27-2)19-7-4-3-5-8-19;1-16-14-26(20-19(23)6-5-11-24-20)12-13-27(16)21(28)25-18-9-7-17(8-10-18)22(2,3)15-29-4;1-16-15-26(21-20(23)7-4-12-24-21)13-14-27(16)22(28)25-19-10-8-18(9-11-19)17-5-2-3-6-17;1-15-13-26(19-18(22)5-4-10-24-19)11-12-27(15)20(28)25-17-8-6-16(7-9-17)21(2,3)14-23;1-13-12-27(18-17(21)4-3-9-25-18)10-11-28(13)19(29)26-16-7-5-15(6-8-16)14(2)20(22,23)24;1-11-10-25(16-15(19)8-14(9-23-16)27(29)30)6-7-26(11)17(28)24-13-4-2-12(3-5-13)18(20,21)22/h3-14,18,23H,15-17H2,1H3,(H,29,32);5-11,16H,12-15H2,1-4H3,(H,25,28);4,7-12,16-17H,2-3,5-6,13-15H2,1H3,(H,25,28);4-10,15H,11-13H2,1-3H3,(H,25,28);3-9,13H,2,10-12H2,1H3,(H,26,29);2-5,8-9,11H,6-7,10H2,1H3,(H,24,28)/t18-,23?;2*16-;15-;13-;11-/m111111/s1
InChIKeyNBDNDTDZABAJQQ-ZWMYSALPSA-N
XLogP28.76
TPSA371.34 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds21
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002528.42
LogP ≤ 528.76
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R)-4-(3-chloro-5-nitro-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-(2-cyanopropan-2-yl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(4-cyclopentylphenyl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-[isocyano(phenyl)methyl]phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]piperazine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)-2-propan-2-ylpiperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-cyclohexylphenyl)-2,6-dimethylpiperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-2,6-dimethyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-2,6-dimethyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;(2R)-4-(3-fluoro-2-pyridinyl)-N-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-fluoro-2-pyridinyl)-N-(3-iodophenyl)-2-methylpiperazine-1-carboxamide
CID 158570323
(2R)-4-(5-amino-3-chloro-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;(2R)-N-(4-butylphenyl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(3-iodophenyl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(4-iodophenyl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-(1,1,1-trifluoropropan-2-yl)phenyl]piperazine-1-carboxamide
CID 160174676
(2R)-N-(4-butan-2-ylphenyl)-4-(3-fluoro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)-2,6-dimethylpiperazine-1-carboxamide;(2R)-N-(4-cyclohexylphenyl)-4-(3-fluoro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(4-cyclopentylphenyl)-4-(3-fluoro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-fluoro-2-pyridinyl)-2-methyl-N-[3-methyl-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;(2R)-4-(3-fluoro-2-pyridinyl)-2-methyl-N-[4-(4,4,4-trifluorobutan-2-yl)phenyl]piperazine-1-carboxamide
CID 160494595
2-tert-butyl-N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;2-tert-butyl-4-(3-chloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;2-tert-butyl-4-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-2-ethyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-2-ethyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;(2R)-4-(3-fluoro-2-pyridinyl)-2-methyl-N-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]piperazine-1-carboxamide
CID 160999175
N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;(2S)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3,5-dichloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;4-(3,5-dichloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 161034446
4-[(4-aminocyclohexyl)methylamino]-2-[(2-chloro-3-pyridinyl)methylamino]pyrimidine-5-carbonitrile;4-[[[4-[(4-aminocyclohexyl)methylamino]-5-nitropyrimidin-2-yl]amino]methyl]-1H-pyridin-2-one;4-N-[(4-aminocyclohexyl)methyl]-2-N-[(3-chloro-4-pyridinyl)methyl]-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-2-N-(1,2-diphenylethyl)-5-nitropyrimidine-2,4-diamine;4-N-[(4-aminocyclohexyl)methyl]-5-nitro-2-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidine-2,4-diamine
CID 161205165
(2R)-N-(4-tert-butylcyclohexyl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-N-(4-tert-butylphenyl)-4-(3-fluoro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(4-propan-2-ylcyclohexyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;(2R)-4-(3-fluoro-2-pyridinyl)-2-methyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;(2R)-4-(3-fluoro-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 161656839
(2R)-N-(4-butan-2-ylphenyl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-(1,1,1-trifluoropropan-2-yl)phenyl]piperazine-1-carboxamide;(2R)-4-(3,5-dichloro-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 161996776

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(3-chloro-5-nitro-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-(2-cyanopropan-2-yl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(4-cyclopentylphenyl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-[isocyano(phenyl)methyl]phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]piperazine-1-carboxamide?
The IUPAC name of (2R)-4-(3-chloro-5-nitro-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-(2-cyanopropan-2-yl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(4-cyclopentylphenyl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-[isocyano(phenyl)methyl]phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]piperazine-1-carboxamide (CID 159730250) is (2R)-4-(3-chloro-5-nitro-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-(2-cyanopropan-2-yl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(4-cyclopentylphenyl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-[isocyano(phenyl)methyl]phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for (2R)-4-(3-chloro-5-nitro-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-(2-cyanopropan-2-yl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(4-cyclopentylphenyl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-[isocyano(phenyl)methyl]phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for (2R)-4-(3-chloro-5-nitro-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-(2-cyanopropan-2-yl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(4-cyclopentylphenyl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-[isocyano(phenyl)methyl]phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]piperazine-1-carboxamide is C=C(c1ccc(NC(=O)N2CCN(c3ncccc3Cl)C[C@H]2C)cc1)C(F)(F)F.COCC(C)(C)c1ccc(NC(=O)N2CCN(c3ncccc3Cl)C[C@H]2C)cc1.C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)CCN1C(=O)Nc1ccc(C(F)(F)F)cc1.C[C@@H]1CN(c2ncccc2Cl)CCN1C(=O)Nc1ccc(C(C)(C)C#N)cc1.C[C@@H]1CN(c2ncccc2Cl)CCN1C(=O)Nc1ccc(C2CCCC2)cc1.[C-]#[N+]C(c1ccccc1)c1ccc(NC(=O)N2CCN(c3ncccc3Cl)C[C@H]2C)cc1.
What is the InChIKey of (2R)-4-(3-chloro-5-nitro-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-(2-cyanopropan-2-yl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(4-cyclopentylphenyl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-[isocyano(phenyl)methyl]phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]piperazine-1-carboxamide?
The InChIKey is NBDNDTDZABAJQQ-ZWMYSALPSA-N. The full InChI is InChI=1S/C25H24ClN5O.C22H29ClN4O2.C22H27ClN4O.C21H24ClN5O.C20H20ClF3N4O.C18H17ClF3N5O3/c1-18-17-30(24-22(26)9-6-14-28-24)15-16-31(18)25(32)29-21-12-10-20(11-13-21)23(27-2)19-7-4-3-5-8-19;1-16-14-26(20-19(23)6-5-11-24-20)12-13-27(16)21(28)25-18-9-7-17(8-10-18)22(2,3)15-29-4;1-16-15-26(21-20(23)7-4-12-24-21)13-14-27(16)22(28)25-19-10-8-18(9-11-19)17-5-2-3-6-17;1-15-13-26(19-18(22)5-4-10-24-19)11-12-27(15)20(28)25-17-8-6-16(7-9-17)21(2,3)14-23;1-13-12-27(18-17(21)4-3-9-25-18)10-11-28(13)19(29)26-16-7-5-15(6-8-16)14(2)20(22,23)24;1-11-10-25(16-15(19)8-14(9-23-16)27(29)30)6-7-26(11)17(28)24-13-4-2-12(3-5-13)18(20,21)22/h3-14,18,23H,15-17H2,1H3,(H,29,32);5-11,16H,12-15H2,1-4H3,(H,25,28);4,7-12,16-17H,2-3,5-6,13-15H2,1H3,(H,25,28);4-10,15H,11-13H2,1-3H3,(H,25,28);3-9,13H,2,10-12H2,1H3,(H,26,29);2-5,8-9,11H,6-7,10H2,1H3,(H,24,28)/t18-,23?;2*16-;15-;13-;11-/m111111/s1.
What are the key properties of (2R)-4-(3-chloro-5-nitro-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-(2-cyanopropan-2-yl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(4-cyclopentylphenyl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-[isocyano(phenyl)methyl]phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]piperazine-1-carboxamide?
(2R)-4-(3-chloro-5-nitro-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-(2-cyanopropan-2-yl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(4-cyclopentylphenyl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-[isocyano(phenyl)methyl]phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]piperazine-1-carboxamide has a molecular weight of 2528.42 g/mol, XLogP of 28.76, 21 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(3-chloro-5-nitro-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-(2-cyanopropan-2-yl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-(4-cyclopentylphenyl)-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-[isocyano(phenyl)methyl]phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-N-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-methylpiperazine-1-carboxamide;(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 159730250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).