N-(2-aminoethyl)-2-[(2R)-4-[2-[4-(aminomethyl)phenyl]-4-methylbenzoyl]-2-ethylpiperazin-1-yl]-5-(2-ethoxy-3-pyridinyl)benzamide;N-butyl-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyrazine-2-carboxamide;N-butyl-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-2-carboxamide;N-[2-(dimethylamino)ethyl]-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-2-carboxamide

C132H158F9N23O12 — CID 159982541

IUPACN-(2-aminoethyl)-2-[(2R)-4-[2-[4-(aminomethyl)phenyl]-4-methylbenzoyl]-2-ethylpiperazin-1-yl]-5-(2-ethoxy-3-pyridinyl)benzamide;N-butyl-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyrazine-2-carboxamide;N-butyl-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-2-carboxamide;N-[2-(dimethylamino)ethyl]-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-2-carboxamide
SMILESCCCCNC(=O)c1nc(-c2cccnc2OCC)ccc1N1CCN(C(=O)c2ccc(C)cc2C(F)(F)F)C[C@H]1CC.CCCCNC(=O)c1nc(-c2cccnc2OCC)cnc1N1CCN(C(=O)c2ccc(C)cc2C(F)(F)F)C[C@H]1CC.CCOc1ncccc1-c1ccc(N2CCN(C(=O)c3ccc(C)cc3-c3ccc(CN)cc3)C[C@H]2CC)c(C(=O)NCCN)c1.CCOc1ncccc1-c1ccc(N2CCN(C(=O)c3ccc(C)cc3C(F)(F)F)C[C@H]2CC)c(C(=O)NCCN(C)C)n1
InChIInChI=1S/C37H44N6O3.C32H39F3N6O3.C32H38F3N5O3.C31H37F3N6O3/c1-4-29-24-42(37(45)31-14-8-25(3)21-32(31)27-11-9-26(23-39)10-12-27)19-20-43(29)34-15-13-28(22-33(34)35(44)40-18-16-38)30-7-6-17-41-36(30)46-5-2;1-6-22-20-40(31(43)23-11-10-21(3)19-25(23)32(33,34)35)17-18-41(22)27-13-12-26(24-9-8-14-37-30(24)44-7-2)38-28(27)29(42)36-15-16-39(4)5;1-5-8-15-36-29(41)28-27(14-13-26(38-28)24-10-9-16-37-30(24)43-7-3)40-18-17-39(20-22(40)6-2)31(42)23-12-11-21(4)19-25(23)32(33,34)35;1-5-8-13-35-28(41)26-27(37-18-25(38-26)23-10-9-14-36-29(23)43-7-3)40-16-15-39(19-21(40)6-2)30(42)22-12-11-20(4)17-24(22)31(32,33)34/h6-15,17,21-22,29H,4-5,16,18-20,23-24,38-39H2,1-3H3,(H,40,44);8-14,19,22H,6-7,15-18,20H2,1-5H3,(H,36,42);9-14,16,19,22H,5-8,15,17-18,20H2,1-4H3,(H,36,41);9-12,14,17-18,21H,5-8,13,15-16,19H2,1-4H3,(H,35,41)/t29-;2*22-;21-/m1111/s1
InChIKeyOFYKZPXSHFKSGF-XWFDQYDISA-N
MW2429.85 g/mol
LogP21.59
Rot. Bonds41

About N-(2-aminoethyl)-2-[(2R)-4-[2-[4-(aminomethyl)phenyl]-4-methylbenzoyl]-2-ethylpiperazin-1-yl]-5-(2-ethoxy-3-pyridinyl)benzamide;N-butyl-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyrazine-2-carboxamide;N-butyl-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-2-carboxamide;N-[2-(dimethylamino)ethyl]-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-2-carboxamide

N-(2-aminoethyl)-2-[(2R)-4-[2-[4-(aminomethyl)phenyl]-4-methylbenzoyl]-2-ethylpiperazin-1-yl]-5-(2-ethoxy-3-pyridinyl)benzamide;N-butyl-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyrazine-2-carboxamide;N-butyl-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-2-carboxamide;N-[2-(dimethylamino)ethyl]-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-2-carboxamide (PubChem CID 159982541) has the molecular formula C132H158F9N23O12 and a molecular weight of 2429.85 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[(2R)-4-[2-[4-(aminomethyl)phenyl]-4-methylbenzoyl]-2-ethylpiperazin-1-yl]-5-(2-ethoxy-3-pyridinyl)benzamide;N-butyl-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyrazine-2-carboxamide;N-butyl-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-2-carboxamide;N-[2-(dimethylamino)ethyl]-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[(2R)-4-[2-[4-(aminomethyl)phenyl]-4-methylbenzoyl]-2-ethylpiperazin-1-yl]-5-(2-ethoxy-3-pyridinyl)benzamide;N-butyl-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyrazine-2-carboxamide;N-butyl-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-2-carboxamide;N-[2-(dimethylamino)ethyl]-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-2-carboxamide
PubChem CID159982541
Molecular FormulaC132H158F9N23O12
Molecular Weight2429.85 g/mol
Exact Mass2428.23
IUPAC NameN-(2-aminoethyl)-2-[(2R)-4-[2-[4-(aminomethyl)phenyl]-4-methylbenzoyl]-2-ethylpiperazin-1-yl]-5-(2-ethoxy-3-pyridinyl)benzamide;N-butyl-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyrazine-2-carboxamide;N-butyl-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-2-carboxamide;N-[2-(dimethylamino)ethyl]-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-2-carboxamide
SMILESCCCCNC(=O)c1nc(-c2cccnc2OCC)ccc1N1CCN(C(=O)c2ccc(C)cc2C(F)(F)F)C[C@H]1CC.CCCCNC(=O)c1nc(-c2cccnc2OCC)cnc1N1CCN(C(=O)c2ccc(C)cc2C(F)(F)F)C[C@H]1CC.CCOc1ncccc1-c1ccc(N2CCN(C(=O)c3ccc(C)cc3-c3ccc(CN)cc3)C[C@H]2CC)c(C(=O)NCCN)c1.CCOc1ncccc1-c1ccc(N2CCN(C(=O)c3ccc(C)cc3C(F)(F)F)C[C@H]2CC)c(C(=O)NCCN(C)C)n1
InChIInChI=1S/C37H44N6O3.C32H39F3N6O3.C32H38F3N5O3.C31H37F3N6O3/c1-4-29-24-42(37(45)31-14-8-25(3)21-32(31)27-11-9-26(23-39)10-12-27)19-20-43(29)34-15-13-28(22-33(34)35(44)40-18-16-38)30-7-6-17-41-36(30)46-5-2;1-6-22-20-40(31(43)23-11-10-21(3)19-25(23)32(33,34)35)17-18-41(22)27-13-12-26(24-9-8-14-37-30(24)44-7-2)38-28(27)29(42)36-15-16-39(4)5;1-5-8-15-36-29(41)28-27(14-13-26(38-28)24-10-9-16-37-30(24)43-7-3)40-18-17-39(20-22(40)6-2)31(42)23-12-11-21(4)19-25(23)32(33,34)35;1-5-8-13-35-28(41)26-27(37-18-25(38-26)23-10-9-14-36-29(23)43-7-3)40-16-15-39(19-21(40)6-2)30(42)22-12-11-20(4)17-24(22)31(32,33)34/h6-15,17,21-22,29H,4-5,16,18-20,23-24,38-39H2,1-3H3,(H,40,44);8-14,19,22H,6-7,15-18,20H2,1-5H3,(H,36,42);9-14,16,19,22H,5-8,15,17-18,20H2,1-4H3,(H,36,41);9-12,14,17-18,21H,5-8,13,15-16,19H2,1-4H3,(H,35,41)/t29-;2*22-;21-/m1111/s1
InChIKeyOFYKZPXSHFKSGF-XWFDQYDISA-N
XLogP21.59
TPSA405.92 Ų
H-Bond Donors6
H-Bond Acceptors27
Rotatable Bonds41
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002429.85
LogP ≤ 521.59
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze N-(2-aminoethyl)-2-[(2R)-4-[2-[4-(aminomethyl)phenyl]-4-methylbenzoyl]-2-ethylpiperazin-1-yl]-5-(2-ethoxy-3-pyridinyl)benzamide;N-butyl-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyrazine-2-carboxamide;N-butyl-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-2-carboxamide;N-[2-(dimethylamino)ethyl]-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-2-carboxamide with MolForge

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Related Compounds

N-(4-tert-butylphenyl)-2-[[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methylamino]pyridine-3-carboxamide;2-[[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methylamino]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 87853473
4-methyl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]pyridin-3-yl]methyl]piperidin-4-yl]-3-[6-(trifluoromethoxy)pyridin-3-yl]benzamide
CID 118155427
[5-Methyl-2-(1-methylpyrazol-4-yl)phenyl]-[3-[2-[1-[4-methyl-2-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidine-1-carbonyl]phenyl]triazol-4-yl]ethyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone
CID 123175965
4-[4-[[4-[[2-amino-5-[2-[2-methyl-5-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]ethynyl]quinazolin-7-yl]methyl]-3-[2-[2-[7-[2-[2-methyl-5-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]ethynyl]quinazolin-4-yl]quinazolin-5-yl]ethynyl]benzoyl]amino]phenoxy]-N-methylpyridine-2-carboxamide
CID 123346866
N-[[4-[2-[[3-[[2,6-difluoro-4-(2-methoxy-4-pyridinyl)phenyl]methyl]-4-oxopyrido[3,2-d]pyrimidin-7-yl]methyl-methylamino]-4-pyridinyl]-2,6-difluorophenyl]methyl]-N-[(2-methyl-3-pyridinyl)iminomethyl]formamide
CID 123418379
N-[6-methyl-5-[6-[methyl-[[4-[5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]pyridin-3-yl]-2-[(3S)-oxolan-3-yl]oxypyridin-3-yl]morpholin-2-yl]methyl]amino]-5-morpholin-4-ylpyridin-3-yl]pyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 130425556
N-[4-methyl-3-[2-[2-[(2S)-4-[4-[4-[2-methyl-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]-6-[[(2S)-pyrrolidin-2-yl]methoxy]pyridin-2-yl]morpholin-3-yl]pyrrolidin-2-yl]ethoxy]-6-morpholin-4-ylpyridin-4-yl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 130425780
6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-[2-[7-fluoro-3-methyl-2-oxo-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]imidazo[4,5-c]quinolin-1-yl]propyl]-4-[[(1S)-1-(oxan-4-yl)ethyl]amino]isoquinoline-3-carboxamide
CID 139314883
[5-methyl-2-(1-methylpyrazol-4-yl)phenyl]-[(2E)-3-[2-[1-[4-methyl-2-[(3R)-3-methyl-2-[[[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]piperidine-1-carbonyl]phenyl]triazol-4-yl]ethyl]-2-[[5-(trifluoromethyl)pyridin-2-yl]oxymethylidene]piperidin-1-yl]methanone
CID 144902901
6-(2-ethoxypyridin-3-yl)-3-[(2R)-2-ethyl-4-[6-(ethylamino)-2-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]-N-[2-(methylamino)ethyl]pyridine-2-carboxamide
CID 146361212
6-(2-ethoxypyridin-3-yl)-3-[(2R)-2-ethyl-4-[4-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-[2-(1H-imidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 146361267
N-(2-aminoethyl)-5-(2-ethoxypyridin-3-yl)-2-[(2R)-2-ethyl-4-[2-(methylamino)-6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]benzamide
CID 146361393

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[(2R)-4-[2-[4-(aminomethyl)phenyl]-4-methylbenzoyl]-2-ethylpiperazin-1-yl]-5-(2-ethoxy-3-pyridinyl)benzamide;N-butyl-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyrazine-2-carboxamide;N-butyl-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-2-carboxamide;N-[2-(dimethylamino)ethyl]-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)-2-[(2R)-4-[2-[4-(aminomethyl)phenyl]-4-methylbenzoyl]-2-ethylpiperazin-1-yl]-5-(2-ethoxy-3-pyridinyl)benzamide;N-butyl-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyrazine-2-carboxamide;N-butyl-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-2-carboxamide;N-[2-(dimethylamino)ethyl]-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-2-carboxamide (CID 159982541) is N-(2-aminoethyl)-2-[(2R)-4-[2-[4-(aminomethyl)phenyl]-4-methylbenzoyl]-2-ethylpiperazin-1-yl]-5-(2-ethoxy-3-pyridinyl)benzamide;N-butyl-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyrazine-2-carboxamide;N-butyl-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-2-carboxamide;N-[2-(dimethylamino)ethyl]-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-2-[(2R)-4-[2-[4-(aminomethyl)phenyl]-4-methylbenzoyl]-2-ethylpiperazin-1-yl]-5-(2-ethoxy-3-pyridinyl)benzamide;N-butyl-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyrazine-2-carboxamide;N-butyl-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-2-carboxamide;N-[2-(dimethylamino)ethyl]-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-2-[(2R)-4-[2-[4-(aminomethyl)phenyl]-4-methylbenzoyl]-2-ethylpiperazin-1-yl]-5-(2-ethoxy-3-pyridinyl)benzamide;N-butyl-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyrazine-2-carboxamide;N-butyl-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-2-carboxamide;N-[2-(dimethylamino)ethyl]-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-2-carboxamide is CCCCNC(=O)c1nc(-c2cccnc2OCC)ccc1N1CCN(C(=O)c2ccc(C)cc2C(F)(F)F)C[C@H]1CC.CCCCNC(=O)c1nc(-c2cccnc2OCC)cnc1N1CCN(C(=O)c2ccc(C)cc2C(F)(F)F)C[C@H]1CC.CCOc1ncccc1-c1ccc(N2CCN(C(=O)c3ccc(C)cc3-c3ccc(CN)cc3)C[C@H]2CC)c(C(=O)NCCN)c1.CCOc1ncccc1-c1ccc(N2CCN(C(=O)c3ccc(C)cc3C(F)(F)F)C[C@H]2CC)c(C(=O)NCCN(C)C)n1.
What is the InChIKey of N-(2-aminoethyl)-2-[(2R)-4-[2-[4-(aminomethyl)phenyl]-4-methylbenzoyl]-2-ethylpiperazin-1-yl]-5-(2-ethoxy-3-pyridinyl)benzamide;N-butyl-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyrazine-2-carboxamide;N-butyl-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-2-carboxamide;N-[2-(dimethylamino)ethyl]-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-2-carboxamide?
The InChIKey is OFYKZPXSHFKSGF-XWFDQYDISA-N. The full InChI is InChI=1S/C37H44N6O3.C32H39F3N6O3.C32H38F3N5O3.C31H37F3N6O3/c1-4-29-24-42(37(45)31-14-8-25(3)21-32(31)27-11-9-26(23-39)10-12-27)19-20-43(29)34-15-13-28(22-33(34)35(44)40-18-16-38)30-7-6-17-41-36(30)46-5-2;1-6-22-20-40(31(43)23-11-10-21(3)19-25(23)32(33,34)35)17-18-41(22)27-13-12-26(24-9-8-14-37-30(24)44-7-2)38-28(27)29(42)36-15-16-39(4)5;1-5-8-15-36-29(41)28-27(14-13-26(38-28)24-10-9-16-37-30(24)43-7-3)40-18-17-39(20-22(40)6-2)31(42)23-12-11-21(4)19-25(23)32(33,34)35;1-5-8-13-35-28(41)26-27(37-18-25(38-26)23-10-9-14-36-29(23)43-7-3)40-16-15-39(19-21(40)6-2)30(42)22-12-11-20(4)17-24(22)31(32,33)34/h6-15,17,21-22,29H,4-5,16,18-20,23-24,38-39H2,1-3H3,(H,40,44);8-14,19,22H,6-7,15-18,20H2,1-5H3,(H,36,42);9-14,16,19,22H,5-8,15,17-18,20H2,1-4H3,(H,36,41);9-12,14,17-18,21H,5-8,13,15-16,19H2,1-4H3,(H,35,41)/t29-;2*22-;21-/m1111/s1.
What are the key properties of N-(2-aminoethyl)-2-[(2R)-4-[2-[4-(aminomethyl)phenyl]-4-methylbenzoyl]-2-ethylpiperazin-1-yl]-5-(2-ethoxy-3-pyridinyl)benzamide;N-butyl-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyrazine-2-carboxamide;N-butyl-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-2-carboxamide;N-[2-(dimethylamino)ethyl]-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-2-carboxamide?
N-(2-aminoethyl)-2-[(2R)-4-[2-[4-(aminomethyl)phenyl]-4-methylbenzoyl]-2-ethylpiperazin-1-yl]-5-(2-ethoxy-3-pyridinyl)benzamide;N-butyl-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyrazine-2-carboxamide;N-butyl-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-2-carboxamide;N-[2-(dimethylamino)ethyl]-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-2-carboxamide has a molecular weight of 2429.85 g/mol, XLogP of 21.59, 41 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[(2R)-4-[2-[4-(aminomethyl)phenyl]-4-methylbenzoyl]-2-ethylpiperazin-1-yl]-5-(2-ethoxy-3-pyridinyl)benzamide;N-butyl-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyrazine-2-carboxamide;N-butyl-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-2-carboxamide;N-[2-(dimethylamino)ethyl]-6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-[4-methyl-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 159982541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).