4-[(2S)-2-(dimethylamino)-3-[[(3R)-4,4-dimethyl-3-(5-methyl-3-pyridinyl)pentanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-4,4-dimethyl-3-(5-methyl-3-pyridinyl)pentanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2,6-difluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2,6-difluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluoro-3-methylbenzamide

C179H227F24N29O14 — CID 167532587

IUPAC4-[(2S)-2-(dimethylamino)-3-[[(3R)-4,4-dimethyl-3-(5-methyl-3-pyridinyl)pentanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-4,4-dimethyl-3-(5-methyl-3-pyridinyl)pentanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2,6-difluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2,6-difluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluoro-3-methylbenzamide
SMILESCc1ccc([C@@H](CC(=O)NC[C@H](Cc2cc(F)c(C(N)=O)c(F)c2)N(C)C)C2(C(F)(F)F)CC2)cn1.Cc1ccc([C@@H](CC(=O)NC[C@H](Cc2ccc(C(N)=O)c(F)c2C)N(C)C)C2(C(F)(F)F)CC2)cn1.Cc1ccc([C@H](CC(=O)NC[C@H](Cc2cc(F)c(C(N)=O)c(F)c2)N(C)C)C2(C(F)(F)F)CC2)cn1.Cc1ccc([C@H](CC(=O)NC[C@H](Cc2ccc(C(N)=O)c(F)c2C)N(C)C)C2(C(F)(F)F)CC2)cn1.Cc1cncc([C@@H](CC(=O)NC[C@H](Cc2ccc(C(N)=O)c(F)c2C)N(C)C)C(C)(C)C)c1.Cc1cncc([C@H](CC(=O)NC[C@H](Cc2ccc(C(N)=O)c(F)c2C)N(C)C)C(C)(C)C)c1.Cc1ncc([C@@H](CC(=O)NC[C@H](Cc2ccc(C(N)=O)c(F)c2C)N(C)C)C2(C(F)(F)F)CC2)cn1
InChIInChI=1S/2C26H32F4N4O2.2C26H37FN4O2.2C25H29F5N4O2.C25H31F4N5O2/c2*1-15-5-6-18(13-32-15)21(25(9-10-25)26(28,29)30)12-22(35)33-14-19(34(3)4)11-17-7-8-20(24(31)36)23(27)16(17)2;2*1-16-10-19(14-29-13-16)22(26(3,4)5)12-23(32)30-15-20(31(6)7)11-18-8-9-21(25(28)33)24(27)17(18)2;2*1-14-4-5-16(12-32-14)18(24(6-7-24)25(28,29)30)11-21(35)33-13-17(34(2)3)8-15-9-19(26)22(23(31)36)20(27)10-15;1-14-16(5-6-19(22(14)26)23(30)36)9-18(34(3)4)13-33-21(35)10-20(17-11-31-15(2)32-12-17)24(7-8-24)25(27,28)29/h2*5-8,13,19,21H,9-12,14H2,1-4H3,(H2,31,36)(H,33,35);2*8-10,13-14,20,22H,11-12,15H2,1-7H3,(H2,28,33)(H,30,32);2*4-5,9-10,12,17-18H,6-8,11,13H2,1-3H3,(H2,31,36)(H,33,35);5-6,11-12,18,20H,7-10,13H2,1-4H3,(H2,30,36)(H,33,35)/t19-,21+;19-,21-;20-,22+;20-,22-;17-,18+;17-,18-;18-,20+/m0000000/s1
InChIKeyAEDUSROBNDNLFB-OCGNWGGWSA-N
MW3464.93 g/mol
LogP26.76
Rot. Bonds68

About 4-[(2S)-2-(dimethylamino)-3-[[(3R)-4,4-dimethyl-3-(5-methyl-3-pyridinyl)pentanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-4,4-dimethyl-3-(5-methyl-3-pyridinyl)pentanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2,6-difluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2,6-difluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluoro-3-methylbenzamide

4-[(2S)-2-(dimethylamino)-3-[[(3R)-4,4-dimethyl-3-(5-methyl-3-pyridinyl)pentanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-4,4-dimethyl-3-(5-methyl-3-pyridinyl)pentanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2,6-difluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2,6-difluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluoro-3-methylbenzamide (PubChem CID 167532587) has the molecular formula C179H227F24N29O14 and a molecular weight of 3464.93 g/mol. Its IUPAC name is 4-[(2S)-2-(dimethylamino)-3-[[(3R)-4,4-dimethyl-3-(5-methyl-3-pyridinyl)pentanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-4,4-dimethyl-3-(5-methyl-3-pyridinyl)pentanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2,6-difluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2,6-difluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound Name4-[(2S)-2-(dimethylamino)-3-[[(3R)-4,4-dimethyl-3-(5-methyl-3-pyridinyl)pentanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-4,4-dimethyl-3-(5-methyl-3-pyridinyl)pentanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2,6-difluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2,6-difluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluoro-3-methylbenzamide
PubChem CID167532587
Molecular FormulaC179H227F24N29O14
Molecular Weight3464.93 g/mol
Exact Mass3462.76
IUPAC Name4-[(2S)-2-(dimethylamino)-3-[[(3R)-4,4-dimethyl-3-(5-methyl-3-pyridinyl)pentanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-4,4-dimethyl-3-(5-methyl-3-pyridinyl)pentanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2,6-difluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2,6-difluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluoro-3-methylbenzamide
SMILESCc1ccc([C@@H](CC(=O)NC[C@H](Cc2cc(F)c(C(N)=O)c(F)c2)N(C)C)C2(C(F)(F)F)CC2)cn1.Cc1ccc([C@@H](CC(=O)NC[C@H](Cc2ccc(C(N)=O)c(F)c2C)N(C)C)C2(C(F)(F)F)CC2)cn1.Cc1ccc([C@H](CC(=O)NC[C@H](Cc2cc(F)c(C(N)=O)c(F)c2)N(C)C)C2(C(F)(F)F)CC2)cn1.Cc1ccc([C@H](CC(=O)NC[C@H](Cc2ccc(C(N)=O)c(F)c2C)N(C)C)C2(C(F)(F)F)CC2)cn1.Cc1cncc([C@@H](CC(=O)NC[C@H](Cc2ccc(C(N)=O)c(F)c2C)N(C)C)C(C)(C)C)c1.Cc1cncc([C@H](CC(=O)NC[C@H](Cc2ccc(C(N)=O)c(F)c2C)N(C)C)C(C)(C)C)c1.Cc1ncc([C@@H](CC(=O)NC[C@H](Cc2ccc(C(N)=O)c(F)c2C)N(C)C)C2(C(F)(F)F)CC2)cn1
InChIInChI=1S/2C26H32F4N4O2.2C26H37FN4O2.2C25H29F5N4O2.C25H31F4N5O2/c2*1-15-5-6-18(13-32-15)21(25(9-10-25)26(28,29)30)12-22(35)33-14-19(34(3)4)11-17-7-8-20(24(31)36)23(27)16(17)2;2*1-16-10-19(14-29-13-16)22(26(3,4)5)12-23(32)30-15-20(31(6)7)11-18-8-9-21(25(28)33)24(27)17(18)2;2*1-14-4-5-16(12-32-14)18(24(6-7-24)25(28,29)30)11-21(35)33-13-17(34(2)3)8-15-9-19(26)22(23(31)36)20(27)10-15;1-14-16(5-6-19(22(14)26)23(30)36)9-18(34(3)4)13-33-21(35)10-20(17-11-31-15(2)32-12-17)24(7-8-24)25(27,28)29/h2*5-8,13,19,21H,9-12,14H2,1-4H3,(H2,31,36)(H,33,35);2*8-10,13-14,20,22H,11-12,15H2,1-7H3,(H2,28,33)(H,30,32);2*4-5,9-10,12,17-18H,6-8,11,13H2,1-3H3,(H2,31,36)(H,33,35);5-6,11-12,18,20H,7-10,13H2,1-4H3,(H2,30,36)(H,33,35)/t19-,21+;19-,21-;20-,22+;20-,22-;17-,18+;17-,18-;18-,20+/m0000000/s1
InChIKeyAEDUSROBNDNLFB-OCGNWGGWSA-N
XLogP26.76
TPSA631.13 Ų
H-Bond Donors14
H-Bond Acceptors29
Rotatable Bonds68
Heavy Atoms246
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003464.93
LogP ≤ 526.76
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1029

Analyze 4-[(2S)-2-(dimethylamino)-3-[[(3R)-4,4-dimethyl-3-(5-methyl-3-pyridinyl)pentanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-4,4-dimethyl-3-(5-methyl-3-pyridinyl)pentanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2,6-difluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2,6-difluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluoro-3-methylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-(dimethylamino)-3-[[(3R)-4,4-dimethyl-3-(5-methyl-3-pyridinyl)pentanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-4,4-dimethyl-3-(5-methyl-3-pyridinyl)pentanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2,6-difluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2,6-difluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluoro-3-methylbenzamide?
The IUPAC name of 4-[(2S)-2-(dimethylamino)-3-[[(3R)-4,4-dimethyl-3-(5-methyl-3-pyridinyl)pentanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-4,4-dimethyl-3-(5-methyl-3-pyridinyl)pentanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2,6-difluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2,6-difluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluoro-3-methylbenzamide (CID 167532587) is 4-[(2S)-2-(dimethylamino)-3-[[(3R)-4,4-dimethyl-3-(5-methyl-3-pyridinyl)pentanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-4,4-dimethyl-3-(5-methyl-3-pyridinyl)pentanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2,6-difluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2,6-difluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluoro-3-methylbenzamide.
What is the SMILES notation for 4-[(2S)-2-(dimethylamino)-3-[[(3R)-4,4-dimethyl-3-(5-methyl-3-pyridinyl)pentanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-4,4-dimethyl-3-(5-methyl-3-pyridinyl)pentanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2,6-difluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2,6-difluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluoro-3-methylbenzamide?
The canonical SMILES for 4-[(2S)-2-(dimethylamino)-3-[[(3R)-4,4-dimethyl-3-(5-methyl-3-pyridinyl)pentanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-4,4-dimethyl-3-(5-methyl-3-pyridinyl)pentanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2,6-difluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2,6-difluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluoro-3-methylbenzamide is Cc1ccc([C@@H](CC(=O)NC[C@H](Cc2cc(F)c(C(N)=O)c(F)c2)N(C)C)C2(C(F)(F)F)CC2)cn1.Cc1ccc([C@@H](CC(=O)NC[C@H](Cc2ccc(C(N)=O)c(F)c2C)N(C)C)C2(C(F)(F)F)CC2)cn1.Cc1ccc([C@H](CC(=O)NC[C@H](Cc2cc(F)c(C(N)=O)c(F)c2)N(C)C)C2(C(F)(F)F)CC2)cn1.Cc1ccc([C@H](CC(=O)NC[C@H](Cc2ccc(C(N)=O)c(F)c2C)N(C)C)C2(C(F)(F)F)CC2)cn1.Cc1cncc([C@@H](CC(=O)NC[C@H](Cc2ccc(C(N)=O)c(F)c2C)N(C)C)C(C)(C)C)c1.Cc1cncc([C@H](CC(=O)NC[C@H](Cc2ccc(C(N)=O)c(F)c2C)N(C)C)C(C)(C)C)c1.Cc1ncc([C@@H](CC(=O)NC[C@H](Cc2ccc(C(N)=O)c(F)c2C)N(C)C)C2(C(F)(F)F)CC2)cn1.
What is the InChIKey of 4-[(2S)-2-(dimethylamino)-3-[[(3R)-4,4-dimethyl-3-(5-methyl-3-pyridinyl)pentanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-4,4-dimethyl-3-(5-methyl-3-pyridinyl)pentanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2,6-difluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2,6-difluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluoro-3-methylbenzamide?
The InChIKey is AEDUSROBNDNLFB-OCGNWGGWSA-N. The full InChI is InChI=1S/2C26H32F4N4O2.2C26H37FN4O2.2C25H29F5N4O2.C25H31F4N5O2/c2*1-15-5-6-18(13-32-15)21(25(9-10-25)26(28,29)30)12-22(35)33-14-19(34(3)4)11-17-7-8-20(24(31)36)23(27)16(17)2;2*1-16-10-19(14-29-13-16)22(26(3,4)5)12-23(32)30-15-20(31(6)7)11-18-8-9-21(25(28)33)24(27)17(18)2;2*1-14-4-5-16(12-32-14)18(24(6-7-24)25(28,29)30)11-21(35)33-13-17(34(2)3)8-15-9-19(26)22(23(31)36)20(27)10-15;1-14-16(5-6-19(22(14)26)23(30)36)9-18(34(3)4)13-33-21(35)10-20(17-11-31-15(2)32-12-17)24(7-8-24)25(27,28)29/h2*5-8,13,19,21H,9-12,14H2,1-4H3,(H2,31,36)(H,33,35);2*8-10,13-14,20,22H,11-12,15H2,1-7H3,(H2,28,33)(H,30,32);2*4-5,9-10,12,17-18H,6-8,11,13H2,1-3H3,(H2,31,36)(H,33,35);5-6,11-12,18,20H,7-10,13H2,1-4H3,(H2,30,36)(H,33,35)/t19-,21+;19-,21-;20-,22+;20-,22-;17-,18+;17-,18-;18-,20+/m0000000/s1.
What are the key properties of 4-[(2S)-2-(dimethylamino)-3-[[(3R)-4,4-dimethyl-3-(5-methyl-3-pyridinyl)pentanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-4,4-dimethyl-3-(5-methyl-3-pyridinyl)pentanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2,6-difluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2,6-difluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluoro-3-methylbenzamide?
4-[(2S)-2-(dimethylamino)-3-[[(3R)-4,4-dimethyl-3-(5-methyl-3-pyridinyl)pentanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-4,4-dimethyl-3-(5-methyl-3-pyridinyl)pentanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2,6-difluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2,6-difluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluoro-3-methylbenzamide has a molecular weight of 3464.93 g/mol, XLogP of 26.76, 68 rotatable bonds, 14 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-(dimethylamino)-3-[[(3R)-4,4-dimethyl-3-(5-methyl-3-pyridinyl)pentanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-4,4-dimethyl-3-(5-methyl-3-pyridinyl)pentanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2,6-difluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2,6-difluorobenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(6-methyl-3-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluoro-3-methylbenzamide;4-[(2S)-2-(dimethylamino)-3-[[(3R)-3-(2-methylpyrimidin-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 167532587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).