(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methyl-4-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide

C148H196F10N18O12 — CID 167623986

IUPAC(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methyl-4-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide
SMILESCN(C)[C@H](CNC(=O)C[C@@H](c1cccnc1)C1(C)CC1)Cc1ccc(O)cc1.Cc1cc([C@@H](CC(=O)NC[C@H](Cc2ccc(O)cc2)N(C)C)C2(C(C)(F)F)CC2)ccn1.Cc1ccc([C@@H](CC(=O)NC[C@H](Cc2ccc(O)cc2)N(C)C)C2(C(C)(F)F)CC2)cn1.Cc1ccc([C@H](CC(=O)NC[C@H](Cc2ccc(O)cc2)N(C)C)C2(C(C)(F)F)CC2)cn1.Cc1cncc([C@@H](CC(=O)NC[C@H](Cc2ccc(O)cc2)N(C)C)C2(C(C)(F)F)CC2)c1.Cc1cncc([C@H](CC(=O)NC[C@H](Cc2ccc(O)cc2)N(C)C)C2(C(C)(F)F)CC2)c1
InChIInChI=1S/5C25H33F2N3O2.C23H31N3O2/c2*1-17-5-8-19(15-28-17)22(25(11-12-25)24(2,26)27)14-23(32)29-16-20(30(3)4)13-18-6-9-21(31)10-7-18;1-17-13-19(9-12-28-17)22(25(10-11-25)24(2,26)27)15-23(32)29-16-20(30(3)4)14-18-5-7-21(31)8-6-18;2*1-17-11-19(15-28-14-17)22(25(9-10-25)24(2,26)27)13-23(32)29-16-20(30(3)4)12-18-5-7-21(31)8-6-18;1-23(10-11-23)21(18-5-4-12-24-15-18)14-22(28)25-16-19(26(2)3)13-17-6-8-20(27)9-7-17/h2*5-10,15,20,22,31H,11-14,16H2,1-4H3,(H,29,32);5-9,12-13,20,22,31H,10-11,14-16H2,1-4H3,(H,29,32);2*5-8,11,14-15,20,22,31H,9-10,12-13,16H2,1-4H3,(H,29,32);4-9,12,15,19,21,27H,10-11,13-14,16H2,1-3H3,(H,25,28)/t20-,22+;20-,22-;2*20-,22+;20-,22-;19-,21-/m000000/s1
InChIKeyMVFKVJAIPCJBCE-XHYCGFHXSA-N
MW2609.29 g/mol
LogP24.82
Rot. Bonds59

About (3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methyl-4-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide

(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methyl-4-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide (PubChem CID 167623986) has the molecular formula C148H196F10N18O12 and a molecular weight of 2609.29 g/mol. Its IUPAC name is (3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methyl-4-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methyl-4-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide
PubChem CID167623986
Molecular FormulaC148H196F10N18O12
Molecular Weight2609.29 g/mol
Exact Mass2607.51
IUPAC Name(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methyl-4-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide
SMILESCN(C)[C@H](CNC(=O)C[C@@H](c1cccnc1)C1(C)CC1)Cc1ccc(O)cc1.Cc1cc([C@@H](CC(=O)NC[C@H](Cc2ccc(O)cc2)N(C)C)C2(C(C)(F)F)CC2)ccn1.Cc1ccc([C@@H](CC(=O)NC[C@H](Cc2ccc(O)cc2)N(C)C)C2(C(C)(F)F)CC2)cn1.Cc1ccc([C@H](CC(=O)NC[C@H](Cc2ccc(O)cc2)N(C)C)C2(C(C)(F)F)CC2)cn1.Cc1cncc([C@@H](CC(=O)NC[C@H](Cc2ccc(O)cc2)N(C)C)C2(C(C)(F)F)CC2)c1.Cc1cncc([C@H](CC(=O)NC[C@H](Cc2ccc(O)cc2)N(C)C)C2(C(C)(F)F)CC2)c1
InChIInChI=1S/5C25H33F2N3O2.C23H31N3O2/c2*1-17-5-8-19(15-28-17)22(25(11-12-25)24(2,26)27)14-23(32)29-16-20(30(3)4)13-18-6-9-21(31)10-7-18;1-17-13-19(9-12-28-17)22(25(10-11-25)24(2,26)27)15-23(32)29-16-20(30(3)4)14-18-5-7-21(31)8-6-18;2*1-17-11-19(15-28-14-17)22(25(9-10-25)24(2,26)27)13-23(32)29-16-20(30(3)4)12-18-5-7-21(31)8-6-18;1-23(10-11-23)21(18-5-4-12-24-15-18)14-22(28)25-16-19(26(2)3)13-17-6-8-20(27)9-7-17/h2*5-10,15,20,22,31H,11-14,16H2,1-4H3,(H,29,32);5-9,12-13,20,22,31H,10-11,14-16H2,1-4H3,(H,29,32);2*5-8,11,14-15,20,22,31H,9-10,12-13,16H2,1-4H3,(H,29,32);4-9,12,15,19,21,27H,10-11,13-14,16H2,1-3H3,(H,25,28)/t20-,22+;20-,22-;2*20-,22+;20-,22-;19-,21-/m000000/s1
InChIKeyMVFKVJAIPCJBCE-XHYCGFHXSA-N
XLogP24.82
TPSA392.76 Ų
H-Bond Donors12
H-Bond Acceptors24
Rotatable Bonds59
Heavy Atoms188
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002609.29
LogP ≤ 524.82
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1024

Analyze (3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methyl-4-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide with MolForge

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Related Compounds

(R)-N-((S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl)-3-(6-methylpyridin-3-yl)-3-(1-(trifluoromethyl)cyclopropyl) propanamide
CID 165405043
N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[1-(trifluoromethyl)cyclopropyl]-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 165405388
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid; nickel(4+); 2-(2-pyridyl)pyridine
CID 86576182
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid; 2-(2-pyridyl)pyridine; zinc(4+)
CID 86576216
2-(Aminomethyl)-4-tert-butyl-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;2-[(1-aminopropan-2-ylamino)methyl]-4-tert-butyl-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;2-[(tert-butylamino)methyl]-4-(3-fluorophenyl)-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;2-[(tert-butylamino)methyl]-4-(4-fluorophenyl)-6-[6-(trifluoromethyl)-3-pyridinyl]phenol
CID 157400909
1-benzyl-2-methylpyridin-1-ium;1-benzyl-3-methylpyridin-1-ium;1-(4-hydroxyphenyl)-3-(3-methylpyridin-1-ium-1-yl)propan-2-one;3-methyl-1-[(E)-3-phenylprop-2-enyl]pyridin-1-ium;2-(2-methylpyridin-1-ium-1-yl)acetamide;2-(3-methylpyridin-1-ium-1-yl)acetamide;3-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-1-ium
CID 158009269
1-(4-Benzylpiperazin-1-yl)-4,4-difluoropentan-1-one;1-(4-benzylpiperidin-1-yl)-4,4-difluoropentan-1-one;4,4-difluoro-1-[3-(4-fluorophenyl)pyrrolidin-1-yl]pentan-1-one;4,4-difluoro-1-[4-(4-hydroxyphenyl)piperidin-1-yl]pentan-1-one;4,4-difluoro-1-(4-pyridin-4-ylpiperidin-1-yl)pentan-1-one
CID 158489696
N-(1-benzylcyclopropyl)-2-methylpropanamide;N-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-2-methylpropanamide;N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide;N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide;N-[(2S)-1-methoxypropan-2-yl]-2-methylpropanamide;2-(3-methylbut-1-en-2-ylamino)ethanol;2-methyl-N-(2-methyl-2-pyridin-2-ylpropyl)propanamide;2-methyl-N-(2-phenylethyl)propanamide;1-(2-methylpropyl)pyrrolidin-3-ol;2-methyl-N-(2-pyridin-2-ylethyl)propanamide;2-methyl-N-[(2S)-1-pyridin-2-ylpropan-2-yl]propanamide;2-methyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]propanamide;2-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 159063016
1,1-difluoro-4,4-dimethylpentane;2-(1,1-difluoro-2,2-dimethylpropyl)pyridine;2-[(2R)-3,3-dimethylbutan-2-yl]pyridine;2-[(2S)-3,3-dimethylbutan-2-yl]pyridine;4,4-dimethylpentanamide;(1R)-2,2-dimethyl-1-phenylpropan-1-ol;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;1-(2,2-dimethylpropyl)-4-methoxybenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;1-fluoro-3,3-dimethylbutane;[(1S)-1-methoxy-2,2-dimethylpropyl]benzene;[(1R)-1-methoxy-2,2-dimethylpropyl]benzene;N,N,3,3-tetramethylbutan-1-amine;N,2,4,4-tetramethylpentan-2-amine;2,3,3-trimethylbutan-2-ylbenzene
CID 159086241
2-[(3-Aminopropylamino)methyl]-4-tert-butyl-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-[[3-(tert-butylamino)propylamino]methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-[[2-(diethylamino)ethylamino]methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-[[5-(diethylamino)pentan-2-ylamino]methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]phenol;4-tert-butyl-2-[[3-(diethylamino)propylamino]methyl]-6-[6-(trifluoromethyl)-3-pyridinyl]phenol
CID 159622790
1-benzyl-5-tert-butylpyridin-2-one;5-tert-butyl-1-cyclobutylpyridin-2-one;5-tert-butyl-1-(2,2-dimethylpropyl)pyridin-2-one;5-tert-butyl-2-methylidenepiperidine;5-tert-butyl-2-methylidene-1H-pyrazine;3-tert-butyl-6-methylidene-1H-pyridazine;bis(2-tert-butyl-5-methylpyridine);bis(2-tert-butyl-6-methylpyridine);4-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylpyridin-2-one;6-tert-butyl-3-methyl-1H-pyridin-2-one;3-tert-butylphenol;3-tert-butylpyridine;2-tert-butyl-1H-pyridin-4-one;3-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1H-pyridin-2-one;5-tert-butyl-1-[(2R)-3,3,3-trifluoro-2-methylpropyl]pyridin-2-one;methane
CID 159688485
4-Tert-butyl-2-[(tert-butylamino)methyl]-6-(3-fluoro-2-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(5-fluoro-2-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(4-methyl-2-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-(6-methyl-3-pyridinyl)phenol;4-tert-butyl-2-[(tert-butylamino)methyl]-6-[6-(trifluoromethyl)-2-pyridinyl]phenol
CID 160855374

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methyl-4-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide?
The IUPAC name of (3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methyl-4-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide (CID 167623986) is (3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methyl-4-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide.
What is the SMILES notation for (3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methyl-4-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide?
The canonical SMILES for (3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methyl-4-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide is CN(C)[C@H](CNC(=O)C[C@@H](c1cccnc1)C1(C)CC1)Cc1ccc(O)cc1.Cc1cc([C@@H](CC(=O)NC[C@H](Cc2ccc(O)cc2)N(C)C)C2(C(C)(F)F)CC2)ccn1.Cc1ccc([C@@H](CC(=O)NC[C@H](Cc2ccc(O)cc2)N(C)C)C2(C(C)(F)F)CC2)cn1.Cc1ccc([C@H](CC(=O)NC[C@H](Cc2ccc(O)cc2)N(C)C)C2(C(C)(F)F)CC2)cn1.Cc1cncc([C@@H](CC(=O)NC[C@H](Cc2ccc(O)cc2)N(C)C)C2(C(C)(F)F)CC2)c1.Cc1cncc([C@H](CC(=O)NC[C@H](Cc2ccc(O)cc2)N(C)C)C2(C(C)(F)F)CC2)c1.
What is the InChIKey of (3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methyl-4-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide?
The InChIKey is MVFKVJAIPCJBCE-XHYCGFHXSA-N. The full InChI is InChI=1S/5C25H33F2N3O2.C23H31N3O2/c2*1-17-5-8-19(15-28-17)22(25(11-12-25)24(2,26)27)14-23(32)29-16-20(30(3)4)13-18-6-9-21(31)10-7-18;1-17-13-19(9-12-28-17)22(25(10-11-25)24(2,26)27)15-23(32)29-16-20(30(3)4)14-18-5-7-21(31)8-6-18;2*1-17-11-19(15-28-14-17)22(25(9-10-25)24(2,26)27)13-23(32)29-16-20(30(3)4)12-18-5-7-21(31)8-6-18;1-23(10-11-23)21(18-5-4-12-24-15-18)14-22(28)25-16-19(26(2)3)13-17-6-8-20(27)9-7-17/h2*5-10,15,20,22,31H,11-14,16H2,1-4H3,(H,29,32);5-9,12-13,20,22,31H,10-11,14-16H2,1-4H3,(H,29,32);2*5-8,11,14-15,20,22,31H,9-10,12-13,16H2,1-4H3,(H,29,32);4-9,12,15,19,21,27H,10-11,13-14,16H2,1-3H3,(H,25,28)/t20-,22+;20-,22-;2*20-,22+;20-,22-;19-,21-/m000000/s1.
What are the key properties of (3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methyl-4-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide?
(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methyl-4-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide has a molecular weight of 2609.29 g/mol, XLogP of 24.82, 59 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(2-methyl-4-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(5-methyl-3-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3R)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(1-methylcyclopropyl)-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 167623986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).