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

C169H226F10N18O12 — CID 167558664

IUPAC(3S)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylbutanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-4-ylpropanamide
SMILESCCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@@H](c2ccc(C)nc2)C2(C(C)(F)F)CC2)N(C)C)c(C)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@@H](c2cccnc2)C2(C(C)(F)F)CC2)N(C)C)c(C)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@H](CC2CC2)c2cccnc2)N(C)C)c(C)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@H](c2ccc(C)nc2)C2(C(C)(F)F)CC2)N(C)C)c(C)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@H](c2cccnc2)C2(C(C)(F)F)CC2)N(C)C)c(C)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@H](c2ccncc2)C2(C(C)(F)F)CC2)N(C)C)c(C)c1
InChIInChI=1S/2C29H39F2N3O2.3C28H37F2N3O2.C27H37N3O2/c2*1-7-26(35)22-11-10-21(19(2)14-22)15-24(34(5)6)18-33-27(36)16-25(23-9-8-20(3)32-17-23)29(12-13-29)28(4,30)31;1-6-25(34)22-8-7-21(19(2)15-22)16-23(33(4)5)18-32-26(35)17-24(20-9-13-31-14-10-20)28(11-12-28)27(3,29)30;2*1-6-25(34)21-10-9-20(19(2)14-21)15-23(33(4)5)18-32-26(35)16-24(22-8-7-13-31-17-22)28(11-12-28)27(3,29)30;1-5-26(31)22-11-10-21(19(2)13-22)15-25(30(3)4)18-29-27(32)16-24(14-20-8-9-20)23-7-6-12-28-17-23/h2*8-11,14,17,24-25H,7,12-13,15-16,18H2,1-6H3,(H,33,36);7-10,13-15,23-24H,6,11-12,16-18H2,1-5H3,(H,32,35);2*7-10,13-14,17,23-24H,6,11-12,15-16,18H2,1-5H3,(H,32,35);6-7,10-13,17,20,24-25H,5,8-9,14-16,18H2,1-4H3,(H,29,32)/t24-,25+;24-,25-;2*23-,24+;23-,24-;24-,25-/m000000/s1
InChIKeyDIQDWYSFFZYRSS-FPHLRWSZSA-N
MW2891.76 g/mol
LogP31.07
Rot. Bonds72

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

(3S)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylbutanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-4-ylpropanamide (PubChem CID 167558664) has the molecular formula C169H226F10N18O12 and a molecular weight of 2891.76 g/mol. Its IUPAC name is (3S)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylbutanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound Name(3S)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylbutanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-4-ylpropanamide
PubChem CID167558664
Molecular FormulaC169H226F10N18O12
Molecular Weight2891.76 g/mol
Exact Mass2889.75
IUPAC Name(3S)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylbutanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-4-ylpropanamide
SMILESCCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@@H](c2ccc(C)nc2)C2(C(C)(F)F)CC2)N(C)C)c(C)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@@H](c2cccnc2)C2(C(C)(F)F)CC2)N(C)C)c(C)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@H](CC2CC2)c2cccnc2)N(C)C)c(C)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@H](c2ccc(C)nc2)C2(C(C)(F)F)CC2)N(C)C)c(C)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@H](c2cccnc2)C2(C(C)(F)F)CC2)N(C)C)c(C)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@H](c2ccncc2)C2(C(C)(F)F)CC2)N(C)C)c(C)c1
InChIInChI=1S/2C29H39F2N3O2.3C28H37F2N3O2.C27H37N3O2/c2*1-7-26(35)22-11-10-21(19(2)14-22)15-24(34(5)6)18-33-27(36)16-25(23-9-8-20(3)32-17-23)29(12-13-29)28(4,30)31;1-6-25(34)22-8-7-21(19(2)15-22)16-23(33(4)5)18-32-26(35)17-24(20-9-13-31-14-10-20)28(11-12-28)27(3,29)30;2*1-6-25(34)21-10-9-20(19(2)14-21)15-23(33(4)5)18-32-26(35)16-24(22-8-7-13-31-17-22)28(11-12-28)27(3,29)30;1-5-26(31)22-11-10-21(19(2)13-22)15-25(30(3)4)18-29-27(32)16-24(14-20-8-9-20)23-7-6-12-28-17-23/h2*8-11,14,17,24-25H,7,12-13,15-16,18H2,1-6H3,(H,33,36);7-10,13-15,23-24H,6,11-12,16-18H2,1-5H3,(H,32,35);2*7-10,13-14,17,23-24H,6,11-12,15-16,18H2,1-5H3,(H,32,35);6-7,10-13,17,20,24-25H,5,8-9,14-16,18H2,1-4H3,(H,29,32)/t24-,25+;24-,25-;2*23-,24+;23-,24-;24-,25-/m000000/s1
InChIKeyDIQDWYSFFZYRSS-FPHLRWSZSA-N
XLogP31.07
TPSA373.80 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds72
Heavy Atoms209
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002891.76
LogP ≤ 531.07
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-((S)-2-(dimethylamino)-3-((R)-3-(6-methylpyridin-3-yl)-3-(1-(trifluoromethyl)cyclopropyl)propanamido)propyl)-2-fluoro-N,3-dimethylbenzamide
CID 165405202
4-((S)-2-(dimethylamino)-3-((R)-3-(6-methylpyridin-3-yl)-3-(1-(trifluoromethyl)cyclopropyl)propanamido)propyl)-2-fluoro-3-methylbenzamide
CID 166025484
4-((S)-2-(dimethylamino)-3-((R)-3-(6-methylpyridin-3-yl)-3-(1-(trifluoromethyl)cyclopropyl)propanamido)propyl)-N,3-dimethylbenzamide
CID 166025619
2-[4-(1,1-difluoroethyl)phenyl]-N-[4-[1-[2-oxo-1-phenyl-2-(pyridin-2-ylmethylamino)ethyl]piperidin-4-yl]phenyl]benzamide
CID 20773835
2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide
CID 58495928
2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperidin-1-yl]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide
CID 58495988
(1R,11R)-N-(2-methyl-3-pyridinyl)-13-oxo-1-(2,2,2-trifluoroethyl)tricyclo[9.4.0.02,7]pentadeca-2(7),3,5-triene-5-carboxamide;(1S,11S)-N-(2-methyl-3-pyridinyl)-13-oxo-1-(2,2,2-trifluoroethyl)tricyclo[9.4.0.02,7]pentadeca-2(7),3,5-triene-5-carboxamide
CID 86671218
[(7S)-7-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(2-phenylphenyl)methanone;(5-methyl-2-pyrimidin-2-ylphenyl)-[(7S)-7-[[[6-(trifluoromethyl)-2-pyridinyl]amino]methyl]-6-azaspiro[2.5]octan-6-yl]methanone
CID 87180376
(2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(pyridin-2-ylmethylamino)-2-[4-[(pyridin-2-ylmethylamino)methyl]benzoyl]pentanamide
CID 87926650
6-N-[1-[[4-fluoro-3-[3-[2-[4-[5-[1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]pyridine-2-carbonyl]piperazin-1-yl]ethyl]phenyl]phenyl]methyl]piperidin-4-yl]-2-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-2,6-dicarboxamide
CID 123332216
[5-Methyl-2-(2-methyl-4-pyridinyl)phenyl]-[3-[2-[6-[4-methyl-2-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidine-1-carbonyl]phenyl]-2-pyridinyl]ethyl]-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 123427541
6-[5-[[2-[2-[[6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]pyridine-3-carbonyl]amino]butyl]cyclopropyl]carbamoyl]-3-fluoro-2-methylphenyl]-N-(2-methylpropyl)pyridine-3-carboxamide
CID 135293953

Frequently Asked Questions

What is the IUPAC name of (3S)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylbutanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-4-ylpropanamide?
The IUPAC name of (3S)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylbutanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-4-ylpropanamide (CID 167558664) is (3S)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylbutanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-4-ylpropanamide.
What is the SMILES notation for (3S)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylbutanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-4-ylpropanamide?
The canonical SMILES for (3S)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylbutanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-4-ylpropanamide is CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@@H](c2ccc(C)nc2)C2(C(C)(F)F)CC2)N(C)C)c(C)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@@H](c2cccnc2)C2(C(C)(F)F)CC2)N(C)C)c(C)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@H](CC2CC2)c2cccnc2)N(C)C)c(C)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@H](c2ccc(C)nc2)C2(C(C)(F)F)CC2)N(C)C)c(C)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@H](c2cccnc2)C2(C(C)(F)F)CC2)N(C)C)c(C)c1.CCC(=O)c1ccc(C[C@@H](CNC(=O)C[C@H](c2ccncc2)C2(C(C)(F)F)CC2)N(C)C)c(C)c1.
What is the InChIKey of (3S)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylbutanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-4-ylpropanamide?
The InChIKey is DIQDWYSFFZYRSS-FPHLRWSZSA-N. The full InChI is InChI=1S/2C29H39F2N3O2.3C28H37F2N3O2.C27H37N3O2/c2*1-7-26(35)22-11-10-21(19(2)14-22)15-24(34(5)6)18-33-27(36)16-25(23-9-8-20(3)32-17-23)29(12-13-29)28(4,30)31;1-6-25(34)22-8-7-21(19(2)15-22)16-23(33(4)5)18-32-26(35)17-24(20-9-13-31-14-10-20)28(11-12-28)27(3,29)30;2*1-6-25(34)21-10-9-20(19(2)14-21)15-23(33(4)5)18-32-26(35)16-24(22-8-7-13-31-17-22)28(11-12-28)27(3,29)30;1-5-26(31)22-11-10-21(19(2)13-22)15-25(30(3)4)18-29-27(32)16-24(14-20-8-9-20)23-7-6-12-28-17-23/h2*8-11,14,17,24-25H,7,12-13,15-16,18H2,1-6H3,(H,33,36);7-10,13-15,23-24H,6,11-12,16-18H2,1-5H3,(H,32,35);2*7-10,13-14,17,23-24H,6,11-12,15-16,18H2,1-5H3,(H,32,35);6-7,10-13,17,20,24-25H,5,8-9,14-16,18H2,1-4H3,(H,29,32)/t24-,25+;24-,25-;2*23-,24+;23-,24-;24-,25-/m000000/s1.
What are the key properties of (3S)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylbutanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-4-ylpropanamide?
(3S)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylbutanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-4-ylpropanamide has a molecular weight of 2891.76 g/mol, XLogP of 31.07, 72 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-cyclopropyl-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylbutanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-(6-methyl-3-pyridinyl)propanamide;(3S)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-3-ylpropanamide;(3R)-3-[1-(1,1-difluoroethyl)cyclopropyl]-N-[(2S)-2-(dimethylamino)-3-(2-methyl-4-propanoylphenyl)propyl]-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 167558664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).