(3R)-3-(5-chloro-2-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]propanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-2-ylbutanamide;(3S)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-2-ylbutanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-2-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-2-ylhexanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-2-ylhexanamide

C164H225ClF4N18O12 — CID 167676771

IUPAC(3R)-3-(5-chloro-2-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]propanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-2-ylbutanamide;(3S)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-2-ylbutanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-2-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-2-ylhexanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-2-ylhexanamide
SMILESCCC(=O)c1ccc(C[C@@H](CNC(=O)CC(CC(C)C)c2ccccn2)N(C)C)c(C)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)CC(CC2CC2)c2ccccn2)N(C)C)c(C)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)CC(CC2CC2)c2ccccn2)N(C)C)c(C)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)CC(c2ccccn2)C2(C(C)(F)F)CC2)N(C)C)c(C)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@@H](CC(C)C)c2ccccn2)N(C)C)c(C)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@@H](c2ccc(Cl)cn2)C2(C(C)(F)F)CC2)N(C)C)c(C)c1
InChIInChI=1S/C28H36ClF2N3O2.C28H37F2N3O2.2C27H37N3O2.2C27H39N3O2/c1-6-25(35)20-8-7-19(18(2)13-20)14-22(34(4)5)17-33-26(36)15-23(24-10-9-21(29)16-32-24)28(11-12-28)27(3,30)31;1-6-25(34)21-11-10-20(19(2)15-21)16-22(33(4)5)18-32-26(35)17-23(24-9-7-8-14-31-24)28(12-13-28)27(3,29)30;2*1-5-26(31)22-12-11-21(19(2)14-22)16-24(30(3)4)18-29-27(32)17-23(15-20-9-10-20)25-8-6-7-13-28-25;2*1-7-26(31)22-12-11-21(20(4)15-22)16-24(30(5)6)18-29-27(32)17-23(14-19(2)3)25-10-8-9-13-28-25/h7-10,13,16,22-23H,6,11-12,14-15,17H2,1-5H3,(H,33,36);7-11,14-15,22-23H,6,12-13,16-18H2,1-5H3,(H,32,35);2*6-8,11-14,20,23-24H,5,9-10,15-18H2,1-4H3,(H,29,32);2*8-13,15,19,23-24H,7,14,16-18H2,1-6H3,(H,29,32)/t22-,23-;22-,23?;3*23?,24-;23-,24+/m000001/s1
InChIKeyUXWNMFZBRKCIOC-LKCFTZFESA-N
MW2752.16 g/mol
LogP29.69
Rot. Bonds72

About (3R)-3-(5-chloro-2-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]propanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-2-ylbutanamide;(3S)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-2-ylbutanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-2-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-2-ylhexanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-2-ylhexanamide

(3R)-3-(5-chloro-2-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]propanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-2-ylbutanamide;(3S)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-2-ylbutanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-2-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-2-ylhexanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-2-ylhexanamide (PubChem CID 167676771) has the molecular formula C164H225ClF4N18O12 and a molecular weight of 2752.16 g/mol. Its IUPAC name is (3R)-3-(5-chloro-2-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]propanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-2-ylbutanamide;(3S)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-2-ylbutanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-2-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-2-ylhexanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-2-ylhexanamide.

Molecular Properties

Compound Name(3R)-3-(5-chloro-2-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]propanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-2-ylbutanamide;(3S)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-2-ylbutanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-2-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-2-ylhexanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-2-ylhexanamide
PubChem CID167676771
Molecular FormulaC164H225ClF4N18O12
Molecular Weight2752.16 g/mol
Exact Mass2749.72
IUPAC Name(3R)-3-(5-chloro-2-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]propanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-2-ylbutanamide;(3S)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-2-ylbutanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-2-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-2-ylhexanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-2-ylhexanamide
SMILESCCC(=O)c1ccc(C[C@@H](CNC(=O)CC(CC(C)C)c2ccccn2)N(C)C)c(C)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)CC(CC2CC2)c2ccccn2)N(C)C)c(C)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)CC(CC2CC2)c2ccccn2)N(C)C)c(C)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)CC(c2ccccn2)C2(C(C)(F)F)CC2)N(C)C)c(C)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@@H](CC(C)C)c2ccccn2)N(C)C)c(C)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@@H](c2ccc(Cl)cn2)C2(C(C)(F)F)CC2)N(C)C)c(C)c1
InChIInChI=1S/C28H36ClF2N3O2.C28H37F2N3O2.2C27H37N3O2.2C27H39N3O2/c1-6-25(35)20-8-7-19(18(2)13-20)14-22(34(4)5)17-33-26(36)15-23(24-10-9-21(29)16-32-24)28(11-12-28)27(3,30)31;1-6-25(34)21-11-10-20(19(2)15-21)16-22(33(4)5)18-32-26(35)17-23(24-9-7-8-14-31-24)28(12-13-28)27(3,29)30;2*1-5-26(31)22-12-11-21(19(2)14-22)16-24(30(3)4)18-29-27(32)17-23(15-20-9-10-20)25-8-6-7-13-28-25;2*1-7-26(31)22-12-11-21(20(4)15-22)16-24(30(5)6)18-29-27(32)17-23(14-19(2)3)25-10-8-9-13-28-25/h7-10,13,16,22-23H,6,11-12,14-15,17H2,1-5H3,(H,33,36);7-11,14-15,22-23H,6,12-13,16-18H2,1-5H3,(H,32,35);2*6-8,11-14,20,23-24H,5,9-10,15-18H2,1-4H3,(H,29,32);2*8-13,15,19,23-24H,7,14,16-18H2,1-6H3,(H,29,32)/t22-,23-;22-,23?;3*23?,24-;23-,24+/m000001/s1
InChIKeyUXWNMFZBRKCIOC-LKCFTZFESA-N
XLogP29.69
TPSA373.80 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds72
Heavy Atoms199
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002752.16
LogP ≤ 529.69
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Analyze (3R)-3-(5-chloro-2-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]propanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-2-ylbutanamide;(3S)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-2-ylbutanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-2-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-2-ylhexanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-2-ylhexanamide with MolForge

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Related Compounds

4-[(2S)-3-[[(3S)-3-(5-chloro-2-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]-2-(dimethylamino)propyl]-N,3-dimethylbenzamide
CID 166025441
4-((S)-3-((R)-3-(5-chloropyridin-2-yl)-3-(1-(trifluoromethyl)cyclopropyl)propanamido)-2-(dimethylamino)propyl)-N,3-dimethylbenzamide
CID 166025570
N-[(1R)-1-(5-chloro-2-pyridinyl)-2-(2-fluorophenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(4-methylphenyl)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-methyl-3-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 123620591
N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(4-methylphenyl)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;bis(4-(1,1-difluoroethyl)-3-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenyl-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide)
CID 123994544
2-chloro-N-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-pyridin-3-ylmethyl]-3-(trifluoromethyl)benzamide;2,6-dimethyl-N-[phenyl-(2-propyl-2-azabicyclo[2.2.2]octan-1-yl)methyl]benzamide;ethane
CID 144032814
N-[1-[2-chloro-5-(1,1-difluoroethyl)phenyl]-1-(5-chloro-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(5-chloro-2-pyridinyl)-1-[3-methyl-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(3,5-dichlorophenyl)-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(3,5-difluorophenyl)-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 157366799
CID 157399687
CID 157399687
N-[(1S)-1-(5-chloro-2-pyridinyl)-2-(2-fluorophenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methylphenyl)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methylphenyl)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(4-methylphenyl)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;methane
CID 157789497
[(4R)-7-[(4-chlorobenzoyl)amino]-2,7-dimethyl-6-oxooctan-4-yl]boronic acid;[(2R)-5-[(4-chlorobenzoyl)amino]-5-methyl-1-(3-methylphenyl)-4-oxohexan-2-yl]boronic acid;[(2R)-1-(4-chlorophenyl)-4-oxo-4-[1-(pyrazine-2-carbonylamino)cyclopropyl]butan-2-yl]boronic acid;[(4R)-2,7-dimethyl-6-oxo-7-(pyrazine-2-carbonylamino)octan-4-yl]boronic acid;[(2R)-5-methyl-1-(4-methylphenyl)-4-oxo-5-(pyrazine-2-carbonylamino)hexan-2-yl]boronic acid;[(1R)-3-methyl-1-[[1-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]cyclopropanecarbonyl]amino]butyl]boronic acid;[(2R)-1-(3-methylphenyl)-4-oxo-4-[1-(pyrazine-2-carbonylamino)cyclopropyl]butan-2-yl]boronic acid;[(2R)-1-(3-methylphenyl)-4-oxo-4-[1-[[2-(trifluoromethyl)benzoyl]amino]cyclopropyl]butan-2-yl]boronic acid
CID 157796753
3-(5-chloro-2-pyridinyl)-1-[4-(4-methylnaphthalen-1-yl)piperidin-1-yl]propane-1,2-dione;4-cyclopropyl-1-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]butane-1,2-dione;3-(4,4-difluorocyclohexyl)-1-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]propane-1,2-dione;3-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]propane-1,2-dione;2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-N-(4-methylcyclohexyl)-2-oxoacetamide;1-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-3-spiro[2.5]octan-6-ylpropane-1,2-dione;methane
CID 157841223
[(4R)-7-[(4-chlorobenzoyl)amino]-2,7-dimethyl-6-oxooctan-4-yl]boronic acid;[(2R)-1-(4-chlorophenyl)-4-oxo-4-[1-(pyrazine-2-carbonylamino)cyclopropyl]butan-2-yl]boronic acid;[(4R)-2,7-dimethyl-6-oxo-7-(pyrazine-2-carbonylamino)octan-4-yl]boronic acid;[(2R)-5-methyl-1-(4-methylphenyl)-4-oxo-5-(pyrazine-2-carbonylamino)hexan-2-yl]boronic acid;[(1R)-3-methyl-1-[[1-[2-oxo-2-[2-(trifluoromethyl)phenyl]ethyl]cyclopropanecarbonyl]amino]butyl]boronic acid;[(2R)-1-(3-methylphenyl)-4-oxo-4-[1-(pyrazine-2-carbonylamino)cyclopropyl]butan-2-yl]boronic acid;[(2R)-1-(3-methylphenyl)-4-oxo-4-[1-[[2-(trifluoromethyl)benzoyl]amino]cyclopropyl]butan-2-yl]boronic acid
CID 157947027
(4R,7S)-4-[2-(2-chloro-6-methylphenyl)-4-pyridinyl]-9-methyl-7-[4-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-2-oxo-1-pyridinyl]decane-2,6-dione;(2S)-2-[5-[2-[2,2-difluoroethyl(methyl)amino]ethyl]-2-oxo-1-pyridinyl]-N-[(1S)-1-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;2-[5-(dimethylamino)-2-oxopiperidin-1-yl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-2-phenylacetamide
CID 158126351

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(5-chloro-2-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]propanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-2-ylbutanamide;(3S)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-2-ylbutanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-2-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-2-ylhexanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-2-ylhexanamide?
The IUPAC name of (3R)-3-(5-chloro-2-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]propanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-2-ylbutanamide;(3S)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-2-ylbutanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-2-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-2-ylhexanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-2-ylhexanamide (CID 167676771) is (3R)-3-(5-chloro-2-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]propanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-2-ylbutanamide;(3S)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-2-ylbutanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-2-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-2-ylhexanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-2-ylhexanamide.
What is the SMILES notation for (3R)-3-(5-chloro-2-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]propanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-2-ylbutanamide;(3S)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-2-ylbutanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-2-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-2-ylhexanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-2-ylhexanamide?
The canonical SMILES for (3R)-3-(5-chloro-2-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]propanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-2-ylbutanamide;(3S)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-2-ylbutanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-2-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-2-ylhexanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-2-ylhexanamide is CCC(=O)c1ccc(C[C@@H](CNC(=O)CC(CC(C)C)c2ccccn2)N(C)C)c(C)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)CC(CC2CC2)c2ccccn2)N(C)C)c(C)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)CC(CC2CC2)c2ccccn2)N(C)C)c(C)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)CC(c2ccccn2)C2(C(C)(F)F)CC2)N(C)C)c(C)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@@H](CC(C)C)c2ccccn2)N(C)C)c(C)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@@H](c2ccc(Cl)cn2)C2(C(C)(F)F)CC2)N(C)C)c(C)c1.
What is the InChIKey of (3R)-3-(5-chloro-2-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]propanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-2-ylbutanamide;(3S)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-2-ylbutanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-2-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-2-ylhexanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-2-ylhexanamide?
The InChIKey is UXWNMFZBRKCIOC-LKCFTZFESA-N. The full InChI is InChI=1S/C28H36ClF2N3O2.C28H37F2N3O2.2C27H37N3O2.2C27H39N3O2/c1-6-25(35)20-8-7-19(18(2)13-20)14-22(34(4)5)17-33-26(36)15-23(24-10-9-21(29)16-32-24)28(11-12-28)27(3,30)31;1-6-25(34)21-11-10-20(19(2)15-21)16-22(33(4)5)18-32-26(35)17-23(24-9-7-8-14-31-24)28(12-13-28)27(3,29)30;2*1-5-26(31)22-12-11-21(19(2)14-22)16-24(30(3)4)18-29-27(32)17-23(15-20-9-10-20)25-8-6-7-13-28-25;2*1-7-26(31)22-12-11-21(20(4)15-22)16-24(30(5)6)18-29-27(32)17-23(14-19(2)3)25-10-8-9-13-28-25/h7-10,13,16,22-23H,6,11-12,14-15,17H2,1-5H3,(H,33,36);7-11,14-15,22-23H,6,12-13,16-18H2,1-5H3,(H,32,35);2*6-8,11-14,20,23-24H,5,9-10,15-18H2,1-4H3,(H,29,32);2*8-13,15,19,23-24H,7,14,16-18H2,1-6H3,(H,29,32)/t22-,23-;22-,23?;3*23?,24-;23-,24+/m000001/s1.
What are the key properties of (3R)-3-(5-chloro-2-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]propanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-2-ylbutanamide;(3S)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-2-ylbutanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-2-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-2-ylhexanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-2-ylhexanamide?
(3R)-3-(5-chloro-2-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]propanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-2-ylbutanamide;(3S)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-2-ylbutanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-2-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-2-ylhexanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-2-ylhexanamide has a molecular weight of 2752.16 g/mol, XLogP of 29.69, 72 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(5-chloro-2-pyridinyl)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]propanamide;(3R)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-2-ylbutanamide;(3S)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-2-ylbutanamide;3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-2-ylpropanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-2-ylhexanamide;(3S)-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-5-methyl-3-pyridin-2-ylhexanamide is sourced from PubChem (CID 167676771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).