N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(4-butylpiperazin-1-yl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(4-ethylpiperazin-1-yl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-piperazin-1-ylpyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(4-propylpiperazin-1-yl)pyridine-3-carboxamide

C175H182F36N24O6 — CID 159630809

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(4-butylpiperazin-1-yl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(4-ethylpiperazin-1-yl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-piperazin-1-ylpyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(4-propylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCCCCN1CCN(c2cc(-c3ccccc3C)c(C(=O)N(C)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cn2)CC1.CCCN1CCN(c2cc(-c3ccccc3C)c(C(=O)N(C)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cn2)CC1.CCN1CCN(c2cc(-c3ccccc3C)c(C(=O)N(C)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cn2)CC1.Cc1ccccc1-c1cc(N2CCN(C(C)C)CC2)ncc1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1.Cc1ccccc1-c1cc(N2CCN(C)CC2)ncc1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1.Cc1ccccc1-c1cc(N2CCNCC2)ncc1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C31H34F6N4O.2C30H32F6N4O.C29H30F6N4O.C28H28F6N4O.C27H26F6N4O/c1-4-5-10-40-11-13-41(14-12-40)28-18-26(25-9-7-6-8-21(25)2)27(19-38-28)29(42)39(3)20-22-15-23(30(32,33)34)17-24(16-22)31(35,36)37;1-19(2)39-9-11-40(12-10-39)27-16-25(24-8-6-5-7-20(24)3)26(17-37-27)28(41)38(4)18-21-13-22(29(31,32)33)15-23(14-21)30(34,35)36;1-4-9-39-10-12-40(13-11-39)27-17-25(24-8-6-5-7-20(24)2)26(18-37-27)28(41)38(3)19-21-14-22(29(31,32)33)16-23(15-21)30(34,35)36;1-4-38-9-11-39(12-10-38)26-16-24(23-8-6-5-7-19(23)2)25(17-36-26)27(40)37(3)18-20-13-21(28(30,31)32)15-22(14-20)29(33,34)35;1-18-6-4-5-7-22(18)23-15-25(38-10-8-36(2)9-11-38)35-16-24(23)26(39)37(3)17-19-12-20(27(29,30)31)14-21(13-19)28(32,33)34;1-17-5-3-4-6-21(17)22-14-24(37-9-7-34-8-10-37)35-15-23(22)25(38)36(2)16-18-11-19(26(28,29)30)13-20(12-18)27(31,32)33/h6-9,15-19H,4-5,10-14,20H2,1-3H3;5-8,13-17,19H,9-12,18H2,1-4H3;5-8,14-18H,4,9-13,19H2,1-3H3;5-8,13-17H,4,9-12,18H2,1-3H3;4-7,12-16H,8-11,17H2,1-3H3;3-6,11-15,34H,7-10,16H2,1-2H3
InChIKeyMPCGZSMBHDRKTA-UHFFFAOYSA-N
MW3401.47 g/mol
LogP39.49
Rot. Bonds37

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(4-butylpiperazin-1-yl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(4-ethylpiperazin-1-yl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-piperazin-1-ylpyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(4-propylpiperazin-1-yl)pyridine-3-carboxamide

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(4-butylpiperazin-1-yl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(4-ethylpiperazin-1-yl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-piperazin-1-ylpyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(4-propylpiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 159630809) has the molecular formula C175H182F36N24O6 and a molecular weight of 3401.47 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(4-butylpiperazin-1-yl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(4-ethylpiperazin-1-yl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-piperazin-1-ylpyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(4-propylpiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(4-butylpiperazin-1-yl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(4-ethylpiperazin-1-yl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-piperazin-1-ylpyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(4-propylpiperazin-1-yl)pyridine-3-carboxamide
PubChem CID159630809
Molecular FormulaC175H182F36N24O6
Molecular Weight3401.47 g/mol
Exact Mass3399.41
IUPAC NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(4-butylpiperazin-1-yl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(4-ethylpiperazin-1-yl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-piperazin-1-ylpyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(4-propylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCCCCN1CCN(c2cc(-c3ccccc3C)c(C(=O)N(C)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cn2)CC1.CCCN1CCN(c2cc(-c3ccccc3C)c(C(=O)N(C)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cn2)CC1.CCN1CCN(c2cc(-c3ccccc3C)c(C(=O)N(C)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cn2)CC1.Cc1ccccc1-c1cc(N2CCN(C(C)C)CC2)ncc1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1.Cc1ccccc1-c1cc(N2CCN(C)CC2)ncc1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1.Cc1ccccc1-c1cc(N2CCNCC2)ncc1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C31H34F6N4O.2C30H32F6N4O.C29H30F6N4O.C28H28F6N4O.C27H26F6N4O/c1-4-5-10-40-11-13-41(14-12-40)28-18-26(25-9-7-6-8-21(25)2)27(19-38-28)29(42)39(3)20-22-15-23(30(32,33)34)17-24(16-22)31(35,36)37;1-19(2)39-9-11-40(12-10-39)27-16-25(24-8-6-5-7-20(24)3)26(17-37-27)28(41)38(4)18-21-13-22(29(31,32)33)15-23(14-21)30(34,35)36;1-4-9-39-10-12-40(13-11-39)27-17-25(24-8-6-5-7-20(24)2)26(18-37-27)28(41)38(3)19-21-14-22(29(31,32)33)16-23(15-21)30(34,35)36;1-4-38-9-11-39(12-10-38)26-16-24(23-8-6-5-7-19(23)2)25(17-36-26)27(40)37(3)18-20-13-21(28(30,31)32)15-22(14-20)29(33,34)35;1-18-6-4-5-7-22(18)23-15-25(38-10-8-36(2)9-11-38)35-16-24(23)26(39)37(3)17-19-12-20(27(29,30)31)14-21(13-19)28(32,33)34;1-17-5-3-4-6-21(17)22-14-24(37-9-7-34-8-10-37)35-15-23(22)25(38)36(2)16-18-11-19(26(28,29)30)13-20(12-18)27(31,32)33/h6-9,15-19H,4-5,10-14,20H2,1-3H3;5-8,13-17,19H,9-12,18H2,1-4H3;5-8,14-18H,4,9-13,19H2,1-3H3;5-8,13-17H,4,9-12,18H2,1-3H3;4-7,12-16H,8-11,17H2,1-3H3;3-6,11-15,34H,7-10,16H2,1-2H3
InChIKeyMPCGZSMBHDRKTA-UHFFFAOYSA-N
XLogP39.49
TPSA246.87 Ų
H-Bond Donors1
H-Bond Acceptors24
Rotatable Bonds37
Heavy Atoms241
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003401.47
LogP ≤ 539.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1024

Analyze N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(4-butylpiperazin-1-yl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(4-ethylpiperazin-1-yl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-piperazin-1-ylpyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(4-propylpiperazin-1-yl)pyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

Imnopitant
CID 9808518
6-[4-(1-Propanoylpiperidin-4-yl)anilino]-4-[(3-pyridin-4-ylphenyl)methylamino]pyridine-3-carboxamide
CID 67502257
Netupitant; palonosetron
CID 78759283
N-(3-methylbutyl)-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide
CID 24989358
N-phenethyl-6-(4-(2-(trifluoromethyl)benzoyl)piperazin-1-yl)nicotinamide
CID 24989744
N-[(S)-(butyl-methyl-carbamoyl)-phenyl-methyl]-6-[(4''-trifluoromethyl-biphenyl-2-carbonyl)-amino]-nicotinamide
CID 44411978
N-((S)-Phenyl-propylcarbamoyl-methyl)-6-[(4''-trifluoromethyl-biphenyl-2-carbonyl)-amino]-nicotinamide
CID 44411979
2,5-dimethyl-4-N-[8-[5-[[(1S)-1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]carbamoyl]-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-yl]benzene-1,4-dicarboxamide
CID 57748401
3-pyridin-3-yl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide
CID 71458712
6-[2-[[5-(4-Ethylpiperazine-1-carbonyl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-2-propan-2-yl-3,4-dihydroisoquinolin-1-one
CID 168273323
6-[4-[[5-[4-Methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carbonyl]-2,3-dihydroisoindol-1-one
CID 119098929
N-isopropyl-1-(4-pyridin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide
CID 3239356

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(4-butylpiperazin-1-yl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(4-ethylpiperazin-1-yl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-piperazin-1-ylpyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(4-propylpiperazin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(4-butylpiperazin-1-yl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(4-ethylpiperazin-1-yl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-piperazin-1-ylpyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(4-propylpiperazin-1-yl)pyridine-3-carboxamide (CID 159630809) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(4-butylpiperazin-1-yl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(4-ethylpiperazin-1-yl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-piperazin-1-ylpyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(4-propylpiperazin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(4-butylpiperazin-1-yl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(4-ethylpiperazin-1-yl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-piperazin-1-ylpyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(4-propylpiperazin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(4-butylpiperazin-1-yl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(4-ethylpiperazin-1-yl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-piperazin-1-ylpyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(4-propylpiperazin-1-yl)pyridine-3-carboxamide is CCCCN1CCN(c2cc(-c3ccccc3C)c(C(=O)N(C)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cn2)CC1.CCCN1CCN(c2cc(-c3ccccc3C)c(C(=O)N(C)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cn2)CC1.CCN1CCN(c2cc(-c3ccccc3C)c(C(=O)N(C)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cn2)CC1.Cc1ccccc1-c1cc(N2CCN(C(C)C)CC2)ncc1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1.Cc1ccccc1-c1cc(N2CCN(C)CC2)ncc1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1.Cc1ccccc1-c1cc(N2CCNCC2)ncc1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(4-butylpiperazin-1-yl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(4-ethylpiperazin-1-yl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-piperazin-1-ylpyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(4-propylpiperazin-1-yl)pyridine-3-carboxamide?
The InChIKey is MPCGZSMBHDRKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34F6N4O.2C30H32F6N4O.C29H30F6N4O.C28H28F6N4O.C27H26F6N4O/c1-4-5-10-40-11-13-41(14-12-40)28-18-26(25-9-7-6-8-21(25)2)27(19-38-28)29(42)39(3)20-22-15-23(30(32,33)34)17-24(16-22)31(35,36)37;1-19(2)39-9-11-40(12-10-39)27-16-25(24-8-6-5-7-20(24)3)26(17-37-27)28(41)38(4)18-21-13-22(29(31,32)33)15-23(14-21)30(34,35)36;1-4-9-39-10-12-40(13-11-39)27-17-25(24-8-6-5-7-20(24)2)26(18-37-27)28(41)38(3)19-21-14-22(29(31,32)33)16-23(15-21)30(34,35)36;1-4-38-9-11-39(12-10-38)26-16-24(23-8-6-5-7-19(23)2)25(17-36-26)27(40)37(3)18-20-13-21(28(30,31)32)15-22(14-20)29(33,34)35;1-18-6-4-5-7-22(18)23-15-25(38-10-8-36(2)9-11-38)35-16-24(23)26(39)37(3)17-19-12-20(27(29,30)31)14-21(13-19)28(32,33)34;1-17-5-3-4-6-21(17)22-14-24(37-9-7-34-8-10-37)35-15-23(22)25(38)36(2)16-18-11-19(26(28,29)30)13-20(12-18)27(31,32)33/h6-9,15-19H,4-5,10-14,20H2,1-3H3;5-8,13-17,19H,9-12,18H2,1-4H3;5-8,14-18H,4,9-13,19H2,1-3H3;5-8,13-17H,4,9-12,18H2,1-3H3;4-7,12-16H,8-11,17H2,1-3H3;3-6,11-15,34H,7-10,16H2,1-2H3.
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(4-butylpiperazin-1-yl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(4-ethylpiperazin-1-yl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-piperazin-1-ylpyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(4-propylpiperazin-1-yl)pyridine-3-carboxamide?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(4-butylpiperazin-1-yl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(4-ethylpiperazin-1-yl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-piperazin-1-ylpyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(4-propylpiperazin-1-yl)pyridine-3-carboxamide has a molecular weight of 3401.47 g/mol, XLogP of 39.49, 37 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(4-butylpiperazin-1-yl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(4-ethylpiperazin-1-yl)-N-methyl-4-(2-methylphenyl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-piperazin-1-ylpyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide;N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(4-propylpiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 159630809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).