6-[4-(2-bromobenzoyl)piperazin-1-yl]-N-butylpyridine-3-carboxamide;6-[4-(2-bromobenzoyl)piperazin-1-yl]-N-pentylpyridine-3-carboxamide;N-[2-(3-chlorophenyl)ethyl]-6-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide;6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-3-carboxamide;6-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-N-pentylpyridine-3-carboxamide;N-hexyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide;N-(3-methylbutyl)-6-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide;N-(3-methylbutyl)-6-[4-(naphthalene-1-carbonyl)piperazin-1-yl]pyridine-3-carboxamide;N-(2-phenylethyl)-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide

C211H245Br2Cl5F6N36O18S — CID 158185336

IUPAC6-[4-(2-bromobenzoyl)piperazin-1-yl]-N-butylpyridine-3-carboxamide;6-[4-(2-bromobenzoyl)piperazin-1-yl]-N-pentylpyridine-3-carboxamide;N-[2-(3-chlorophenyl)ethyl]-6-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide;6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-3-carboxamide;6-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-N-pentylpyridine-3-carboxamide;N-hexyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide;N-(3-methylbutyl)-6-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide;N-(3-methylbutyl)-6-[4-(naphthalene-1-carbonyl)piperazin-1-yl]pyridine-3-carboxamide;N-(2-phenylethyl)-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide
SMILESCC(C)CCNC(=O)c1ccc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)nc1.CC(C)CCNC(=O)c1ccc(N2CCN(C(=O)c3cccc4ccccc34)CC2)nc1.CCCCCCNC(=O)c1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nc1.CCCCCNC(=O)c1ccc(N2CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)nc1.CCCCCNC(=O)c1ccc(N2CCN(C(=O)c3ccccc3Br)CC2)nc1.CCCCNC(=O)c1ccc(N2CCN(C(=O)c3ccccc3Br)CC2)nc1.Cc1ccccc1CC(=O)N1CCN(c2ccc(C(=O)NCCC(C)C)cn2)CC1.Cc1ccsc1C(=O)N1CCN(c2ccc(C(=O)NCCc3cccc(Cl)c3)cn2)CC1.O=C(NCCc1ccccc1)c1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nc1
InChIInChI=1S/C26H25F3N4O2.C26H30N4O2.C24H25ClN4O2S.C24H29F3N4O2.C24H32N4O2.C22H27BrN4O2.2C22H26Cl2N4O2.C21H25BrN4O2/c27-26(28,29)22-9-5-4-8-21(22)25(35)33-16-14-32(15-17-33)23-11-10-20(18-31-23)24(34)30-13-12-19-6-2-1-3-7-19;1-19(2)12-13-27-25(31)21-10-11-24(28-18-21)29-14-16-30(17-15-29)26(32)23-9-5-7-20-6-3-4-8-22(20)23;1-17-8-14-32-22(17)24(31)29-12-10-28(11-13-29)21-6-5-19(16-27-21)23(30)26-9-7-18-3-2-4-20(25)15-18;1-2-3-4-7-12-28-22(32)18-10-11-21(29-17-18)30-13-15-31(16-14-30)23(33)19-8-5-6-9-20(19)24(25,26)27;1-18(2)10-11-25-24(30)21-8-9-22(26-17-21)27-12-14-28(15-13-27)23(29)16-20-7-5-4-6-19(20)3;1-2-3-6-11-24-21(28)17-9-10-20(25-16-17)26-12-14-27(15-13-26)22(29)18-7-4-5-8-19(18)23;1-15(2)7-8-25-21(29)16-3-6-20(26-14-16)27-9-11-28(12-10-27)22(30)18-5-4-17(23)13-19(18)24;1-2-3-4-9-25-21(29)16-5-8-20(26-15-16)27-10-12-28(13-11-27)22(30)18-14-17(23)6-7-19(18)24;1-2-3-10-23-20(27)16-8-9-19(24-15-16)25-11-13-26(14-12-25)21(28)17-6-4-5-7-18(17)22/h1-11,18H,12-17H2,(H,30,34);3-11,18-19H,12-17H2,1-2H3,(H,27,31);2-6,8,14-16H,7,9-13H2,1H3,(H,26,30);5-6,8-11,17H,2-4,7,12-16H2,1H3,(H,28,32);4-9,17-18H,10-16H2,1-3H3,(H,25,30);4-5,7-10,16H,2-3,6,11-15H2,1H3,(H,24,28);3-6,13-15H,7-12H2,1-2H3,(H,25,29);5-8,14-15H,2-4,9-13H2,1H3,(H,25,29);4-9,15H,2-3,10-14H2,1H3,(H,23,27)
InChIKeyFZBPIIVUKBXLTP-UHFFFAOYSA-N
MW4056.64 g/mol
LogP34.94
Rot. Bonds59

About 6-[4-(2-bromobenzoyl)piperazin-1-yl]-N-butylpyridine-3-carboxamide;6-[4-(2-bromobenzoyl)piperazin-1-yl]-N-pentylpyridine-3-carboxamide;N-[2-(3-chlorophenyl)ethyl]-6-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide;6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-3-carboxamide;6-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-N-pentylpyridine-3-carboxamide;N-hexyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide;N-(3-methylbutyl)-6-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide;N-(3-methylbutyl)-6-[4-(naphthalene-1-carbonyl)piperazin-1-yl]pyridine-3-carboxamide;N-(2-phenylethyl)-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide

6-[4-(2-bromobenzoyl)piperazin-1-yl]-N-butylpyridine-3-carboxamide;6-[4-(2-bromobenzoyl)piperazin-1-yl]-N-pentylpyridine-3-carboxamide;N-[2-(3-chlorophenyl)ethyl]-6-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide;6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-3-carboxamide;6-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-N-pentylpyridine-3-carboxamide;N-hexyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide;N-(3-methylbutyl)-6-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide;N-(3-methylbutyl)-6-[4-(naphthalene-1-carbonyl)piperazin-1-yl]pyridine-3-carboxamide;N-(2-phenylethyl)-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 158185336) has the molecular formula C211H245Br2Cl5F6N36O18S and a molecular weight of 4056.64 g/mol. Its IUPAC name is 6-[4-(2-bromobenzoyl)piperazin-1-yl]-N-butylpyridine-3-carboxamide;6-[4-(2-bromobenzoyl)piperazin-1-yl]-N-pentylpyridine-3-carboxamide;N-[2-(3-chlorophenyl)ethyl]-6-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide;6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-3-carboxamide;6-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-N-pentylpyridine-3-carboxamide;N-hexyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide;N-(3-methylbutyl)-6-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide;N-(3-methylbutyl)-6-[4-(naphthalene-1-carbonyl)piperazin-1-yl]pyridine-3-carboxamide;N-(2-phenylethyl)-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(2-bromobenzoyl)piperazin-1-yl]-N-butylpyridine-3-carboxamide;6-[4-(2-bromobenzoyl)piperazin-1-yl]-N-pentylpyridine-3-carboxamide;N-[2-(3-chlorophenyl)ethyl]-6-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide;6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-3-carboxamide;6-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-N-pentylpyridine-3-carboxamide;N-hexyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide;N-(3-methylbutyl)-6-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide;N-(3-methylbutyl)-6-[4-(naphthalene-1-carbonyl)piperazin-1-yl]pyridine-3-carboxamide;N-(2-phenylethyl)-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide
PubChem CID158185336
Molecular FormulaC211H245Br2Cl5F6N36O18S
Molecular Weight4056.64 g/mol
Exact Mass4049.58
IUPAC Name6-[4-(2-bromobenzoyl)piperazin-1-yl]-N-butylpyridine-3-carboxamide;6-[4-(2-bromobenzoyl)piperazin-1-yl]-N-pentylpyridine-3-carboxamide;N-[2-(3-chlorophenyl)ethyl]-6-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide;6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-3-carboxamide;6-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-N-pentylpyridine-3-carboxamide;N-hexyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide;N-(3-methylbutyl)-6-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide;N-(3-methylbutyl)-6-[4-(naphthalene-1-carbonyl)piperazin-1-yl]pyridine-3-carboxamide;N-(2-phenylethyl)-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide
SMILESCC(C)CCNC(=O)c1ccc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)nc1.CC(C)CCNC(=O)c1ccc(N2CCN(C(=O)c3cccc4ccccc34)CC2)nc1.CCCCCCNC(=O)c1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nc1.CCCCCNC(=O)c1ccc(N2CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)nc1.CCCCCNC(=O)c1ccc(N2CCN(C(=O)c3ccccc3Br)CC2)nc1.CCCCNC(=O)c1ccc(N2CCN(C(=O)c3ccccc3Br)CC2)nc1.Cc1ccccc1CC(=O)N1CCN(c2ccc(C(=O)NCCC(C)C)cn2)CC1.Cc1ccsc1C(=O)N1CCN(c2ccc(C(=O)NCCc3cccc(Cl)c3)cn2)CC1.O=C(NCCc1ccccc1)c1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nc1
InChIInChI=1S/C26H25F3N4O2.C26H30N4O2.C24H25ClN4O2S.C24H29F3N4O2.C24H32N4O2.C22H27BrN4O2.2C22H26Cl2N4O2.C21H25BrN4O2/c27-26(28,29)22-9-5-4-8-21(22)25(35)33-16-14-32(15-17-33)23-11-10-20(18-31-23)24(34)30-13-12-19-6-2-1-3-7-19;1-19(2)12-13-27-25(31)21-10-11-24(28-18-21)29-14-16-30(17-15-29)26(32)23-9-5-7-20-6-3-4-8-22(20)23;1-17-8-14-32-22(17)24(31)29-12-10-28(11-13-29)21-6-5-19(16-27-21)23(30)26-9-7-18-3-2-4-20(25)15-18;1-2-3-4-7-12-28-22(32)18-10-11-21(29-17-18)30-13-15-31(16-14-30)23(33)19-8-5-6-9-20(19)24(25,26)27;1-18(2)10-11-25-24(30)21-8-9-22(26-17-21)27-12-14-28(15-13-27)23(29)16-20-7-5-4-6-19(20)3;1-2-3-6-11-24-21(28)17-9-10-20(25-16-17)26-12-14-27(15-13-26)22(29)18-7-4-5-8-19(18)23;1-15(2)7-8-25-21(29)16-3-6-20(26-14-16)27-9-11-28(12-10-27)22(30)18-5-4-17(23)13-19(18)24;1-2-3-4-9-25-21(29)16-5-8-20(26-15-16)27-10-12-28(13-11-27)22(30)18-14-17(23)6-7-19(18)24;1-2-3-10-23-20(27)16-8-9-19(24-15-16)25-11-13-26(14-12-25)21(28)17-6-4-5-7-18(17)22/h1-11,18H,12-17H2,(H,30,34);3-11,18-19H,12-17H2,1-2H3,(H,27,31);2-6,8,14-16H,7,9-13H2,1H3,(H,26,30);5-6,8-11,17H,2-4,7,12-16H2,1H3,(H,28,32);4-9,17-18H,10-16H2,1-3H3,(H,25,30);4-5,7-10,16H,2-3,6,11-15H2,1H3,(H,24,28);3-6,13-15H,7-12H2,1-2H3,(H,25,29);5-8,14-15H,2-4,9-13H2,1H3,(H,25,29);4-9,15H,2-3,10-14H2,1H3,(H,23,27)
InChIKeyFZBPIIVUKBXLTP-UHFFFAOYSA-N
XLogP34.94
TPSA589.86 Ų
H-Bond Donors9
H-Bond Acceptors37
Rotatable Bonds59
Heavy Atoms279
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004056.64
LogP ≤ 534.94
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[4-(2-bromobenzoyl)piperazin-1-yl]-N-butylpyridine-3-carboxamide;6-[4-(2-bromobenzoyl)piperazin-1-yl]-N-pentylpyridine-3-carboxamide;N-[2-(3-chlorophenyl)ethyl]-6-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide;6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-3-carboxamide;6-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-N-pentylpyridine-3-carboxamide;N-hexyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide;N-(3-methylbutyl)-6-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide;N-(3-methylbutyl)-6-[4-(naphthalene-1-carbonyl)piperazin-1-yl]pyridine-3-carboxamide;N-(2-phenylethyl)-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-bromobenzoyl)piperazin-1-yl]-N-butylpyridine-3-carboxamide;6-[4-(2-bromobenzoyl)piperazin-1-yl]-N-pentylpyridine-3-carboxamide;N-[2-(3-chlorophenyl)ethyl]-6-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide;6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-3-carboxamide;6-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-N-pentylpyridine-3-carboxamide;N-hexyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide;N-(3-methylbutyl)-6-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide;N-(3-methylbutyl)-6-[4-(naphthalene-1-carbonyl)piperazin-1-yl]pyridine-3-carboxamide;N-(2-phenylethyl)-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 6-[4-(2-bromobenzoyl)piperazin-1-yl]-N-butylpyridine-3-carboxamide;6-[4-(2-bromobenzoyl)piperazin-1-yl]-N-pentylpyridine-3-carboxamide;N-[2-(3-chlorophenyl)ethyl]-6-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide;6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-3-carboxamide;6-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-N-pentylpyridine-3-carboxamide;N-hexyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide;N-(3-methylbutyl)-6-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide;N-(3-methylbutyl)-6-[4-(naphthalene-1-carbonyl)piperazin-1-yl]pyridine-3-carboxamide;N-(2-phenylethyl)-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide (CID 158185336) is 6-[4-(2-bromobenzoyl)piperazin-1-yl]-N-butylpyridine-3-carboxamide;6-[4-(2-bromobenzoyl)piperazin-1-yl]-N-pentylpyridine-3-carboxamide;N-[2-(3-chlorophenyl)ethyl]-6-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide;6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-3-carboxamide;6-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-N-pentylpyridine-3-carboxamide;N-hexyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide;N-(3-methylbutyl)-6-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide;N-(3-methylbutyl)-6-[4-(naphthalene-1-carbonyl)piperazin-1-yl]pyridine-3-carboxamide;N-(2-phenylethyl)-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(2-bromobenzoyl)piperazin-1-yl]-N-butylpyridine-3-carboxamide;6-[4-(2-bromobenzoyl)piperazin-1-yl]-N-pentylpyridine-3-carboxamide;N-[2-(3-chlorophenyl)ethyl]-6-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide;6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-3-carboxamide;6-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-N-pentylpyridine-3-carboxamide;N-hexyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide;N-(3-methylbutyl)-6-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide;N-(3-methylbutyl)-6-[4-(naphthalene-1-carbonyl)piperazin-1-yl]pyridine-3-carboxamide;N-(2-phenylethyl)-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-(2-bromobenzoyl)piperazin-1-yl]-N-butylpyridine-3-carboxamide;6-[4-(2-bromobenzoyl)piperazin-1-yl]-N-pentylpyridine-3-carboxamide;N-[2-(3-chlorophenyl)ethyl]-6-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide;6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-3-carboxamide;6-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-N-pentylpyridine-3-carboxamide;N-hexyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide;N-(3-methylbutyl)-6-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide;N-(3-methylbutyl)-6-[4-(naphthalene-1-carbonyl)piperazin-1-yl]pyridine-3-carboxamide;N-(2-phenylethyl)-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide is CC(C)CCNC(=O)c1ccc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)nc1.CC(C)CCNC(=O)c1ccc(N2CCN(C(=O)c3cccc4ccccc34)CC2)nc1.CCCCCCNC(=O)c1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nc1.CCCCCNC(=O)c1ccc(N2CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)nc1.CCCCCNC(=O)c1ccc(N2CCN(C(=O)c3ccccc3Br)CC2)nc1.CCCCNC(=O)c1ccc(N2CCN(C(=O)c3ccccc3Br)CC2)nc1.Cc1ccccc1CC(=O)N1CCN(c2ccc(C(=O)NCCC(C)C)cn2)CC1.Cc1ccsc1C(=O)N1CCN(c2ccc(C(=O)NCCc3cccc(Cl)c3)cn2)CC1.O=C(NCCc1ccccc1)c1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nc1.
What is the InChIKey of 6-[4-(2-bromobenzoyl)piperazin-1-yl]-N-butylpyridine-3-carboxamide;6-[4-(2-bromobenzoyl)piperazin-1-yl]-N-pentylpyridine-3-carboxamide;N-[2-(3-chlorophenyl)ethyl]-6-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide;6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-3-carboxamide;6-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-N-pentylpyridine-3-carboxamide;N-hexyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide;N-(3-methylbutyl)-6-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide;N-(3-methylbutyl)-6-[4-(naphthalene-1-carbonyl)piperazin-1-yl]pyridine-3-carboxamide;N-(2-phenylethyl)-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is FZBPIIVUKBXLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N4O2.C26H30N4O2.C24H25ClN4O2S.C24H29F3N4O2.C24H32N4O2.C22H27BrN4O2.2C22H26Cl2N4O2.C21H25BrN4O2/c27-26(28,29)22-9-5-4-8-21(22)25(35)33-16-14-32(15-17-33)23-11-10-20(18-31-23)24(34)30-13-12-19-6-2-1-3-7-19;1-19(2)12-13-27-25(31)21-10-11-24(28-18-21)29-14-16-30(17-15-29)26(32)23-9-5-7-20-6-3-4-8-22(20)23;1-17-8-14-32-22(17)24(31)29-12-10-28(11-13-29)21-6-5-19(16-27-21)23(30)26-9-7-18-3-2-4-20(25)15-18;1-2-3-4-7-12-28-22(32)18-10-11-21(29-17-18)30-13-15-31(16-14-30)23(33)19-8-5-6-9-20(19)24(25,26)27;1-18(2)10-11-25-24(30)21-8-9-22(26-17-21)27-12-14-28(15-13-27)23(29)16-20-7-5-4-6-19(20)3;1-2-3-6-11-24-21(28)17-9-10-20(25-16-17)26-12-14-27(15-13-26)22(29)18-7-4-5-8-19(18)23;1-15(2)7-8-25-21(29)16-3-6-20(26-14-16)27-9-11-28(12-10-27)22(30)18-5-4-17(23)13-19(18)24;1-2-3-4-9-25-21(29)16-5-8-20(26-15-16)27-10-12-28(13-11-27)22(30)18-14-17(23)6-7-19(18)24;1-2-3-10-23-20(27)16-8-9-19(24-15-16)25-11-13-26(14-12-25)21(28)17-6-4-5-7-18(17)22/h1-11,18H,12-17H2,(H,30,34);3-11,18-19H,12-17H2,1-2H3,(H,27,31);2-6,8,14-16H,7,9-13H2,1H3,(H,26,30);5-6,8-11,17H,2-4,7,12-16H2,1H3,(H,28,32);4-9,17-18H,10-16H2,1-3H3,(H,25,30);4-5,7-10,16H,2-3,6,11-15H2,1H3,(H,24,28);3-6,13-15H,7-12H2,1-2H3,(H,25,29);5-8,14-15H,2-4,9-13H2,1H3,(H,25,29);4-9,15H,2-3,10-14H2,1H3,(H,23,27).
What are the key properties of 6-[4-(2-bromobenzoyl)piperazin-1-yl]-N-butylpyridine-3-carboxamide;6-[4-(2-bromobenzoyl)piperazin-1-yl]-N-pentylpyridine-3-carboxamide;N-[2-(3-chlorophenyl)ethyl]-6-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide;6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-3-carboxamide;6-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-N-pentylpyridine-3-carboxamide;N-hexyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide;N-(3-methylbutyl)-6-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide;N-(3-methylbutyl)-6-[4-(naphthalene-1-carbonyl)piperazin-1-yl]pyridine-3-carboxamide;N-(2-phenylethyl)-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide?
6-[4-(2-bromobenzoyl)piperazin-1-yl]-N-butylpyridine-3-carboxamide;6-[4-(2-bromobenzoyl)piperazin-1-yl]-N-pentylpyridine-3-carboxamide;N-[2-(3-chlorophenyl)ethyl]-6-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide;6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-3-carboxamide;6-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-N-pentylpyridine-3-carboxamide;N-hexyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide;N-(3-methylbutyl)-6-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide;N-(3-methylbutyl)-6-[4-(naphthalene-1-carbonyl)piperazin-1-yl]pyridine-3-carboxamide;N-(2-phenylethyl)-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 4056.64 g/mol, XLogP of 34.94, 59 rotatable bonds, 9 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-bromobenzoyl)piperazin-1-yl]-N-butylpyridine-3-carboxamide;6-[4-(2-bromobenzoyl)piperazin-1-yl]-N-pentylpyridine-3-carboxamide;N-[2-(3-chlorophenyl)ethyl]-6-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide;6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-3-carboxamide;6-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-N-pentylpyridine-3-carboxamide;N-hexyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide;N-(3-methylbutyl)-6-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide;N-(3-methylbutyl)-6-[4-(naphthalene-1-carbonyl)piperazin-1-yl]pyridine-3-carboxamide;N-(2-phenylethyl)-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 158185336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).