N-[(1S)-1-[5-(2,6-difluorophenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2S)-N-[(1S)-1-[5-(2,6-difluorophenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-oxoquinazolin-3-yl)pentanamide;N-[(1S)-1-[5-(2,6-difluorophenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanamide;(2R)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[2-oxo-4-(trifluoromethyl)piperidin-1-yl]pentanamide

C112H119F12N13O12 — CID 158581477

IUPACN-[(1S)-1-[5-(2,6-difluorophenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2S)-N-[(1S)-1-[5-(2,6-difluorophenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-oxoquinazolin-3-yl)pentanamide;N-[(1S)-1-[5-(2,6-difluorophenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanamide;(2R)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[2-oxo-4-(trifluoromethyl)piperidin-1-yl]pentanamide
SMILESCC(=O)C[C@H](NC(=O)C(CC(C)C)n1cc(C(F)(F)F)ccc1=O)c1cncc(-c2c(F)cccc2F)c1.CC(=O)C[C@H](NC(=O)C(CC(C)C)n1ccc(C)cc1=O)c1cncc(-c2c(F)cccc2F)c1.CC(=O)C[C@H](NC(=O)[C@@H](CC(C)C)N1CCC(C(F)(F)F)CC1=O)c1cncc(-c2c(C)cccc2C)c1.CC(=O)C[C@H](NC(=O)[C@H](CC(C)C)n1cnc2ccccc2c1=O)c1cncc(-c2c(F)cccc2F)c1
InChIInChI=1S/C29H36F3N3O3.C29H28F2N4O3.C27H26F5N3O3.C27H29F2N3O3/c1-17(2)11-25(35-10-9-23(14-26(35)37)29(30,31)32)28(38)34-24(12-20(5)36)21-13-22(16-33-15-21)27-18(3)7-6-8-19(27)4;1-17(2)11-26(35-16-33-24-10-5-4-7-21(24)29(35)38)28(37)34-25(12-18(3)36)19-13-20(15-32-14-19)27-22(30)8-6-9-23(27)31;1-15(2)9-23(35-14-19(27(30,31)32)7-8-24(35)37)26(38)34-22(10-16(3)36)17-11-18(13-33-12-17)25-20(28)5-4-6-21(25)29;1-16(2)10-24(32-9-8-17(3)11-25(32)34)27(35)31-23(12-18(4)33)19-13-20(15-30-14-19)26-21(28)6-5-7-22(26)29/h6-8,13,15-17,23-25H,9-12,14H2,1-5H3,(H,34,38);4-10,13-17,25-26H,11-12H2,1-3H3,(H,34,37);4-8,11-15,22-23H,9-10H2,1-3H3,(H,34,38);5-9,11,13-16,23-24H,10,12H2,1-4H3,(H,31,35)/t23?,24-,25+;25-,26-;22-,23?;23-,24?/m0000/s1
InChIKeyHTHODCFHDKORLK-DVYZHLENSA-N
MW2067.24 g/mol
LogP21.43
Rot. Bonds36

About N-[(1S)-1-[5-(2,6-difluorophenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2S)-N-[(1S)-1-[5-(2,6-difluorophenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-oxoquinazolin-3-yl)pentanamide;N-[(1S)-1-[5-(2,6-difluorophenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanamide;(2R)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[2-oxo-4-(trifluoromethyl)piperidin-1-yl]pentanamide

N-[(1S)-1-[5-(2,6-difluorophenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2S)-N-[(1S)-1-[5-(2,6-difluorophenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-oxoquinazolin-3-yl)pentanamide;N-[(1S)-1-[5-(2,6-difluorophenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanamide;(2R)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[2-oxo-4-(trifluoromethyl)piperidin-1-yl]pentanamide (PubChem CID 158581477) has the molecular formula C112H119F12N13O12 and a molecular weight of 2067.24 g/mol. Its IUPAC name is N-[(1S)-1-[5-(2,6-difluorophenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2S)-N-[(1S)-1-[5-(2,6-difluorophenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-oxoquinazolin-3-yl)pentanamide;N-[(1S)-1-[5-(2,6-difluorophenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanamide;(2R)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[2-oxo-4-(trifluoromethyl)piperidin-1-yl]pentanamide.

Molecular Properties

Compound NameN-[(1S)-1-[5-(2,6-difluorophenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2S)-N-[(1S)-1-[5-(2,6-difluorophenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-oxoquinazolin-3-yl)pentanamide;N-[(1S)-1-[5-(2,6-difluorophenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanamide;(2R)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[2-oxo-4-(trifluoromethyl)piperidin-1-yl]pentanamide
PubChem CID158581477
Molecular FormulaC112H119F12N13O12
Molecular Weight2067.24 g/mol
Exact Mass2065.89
IUPAC NameN-[(1S)-1-[5-(2,6-difluorophenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2S)-N-[(1S)-1-[5-(2,6-difluorophenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-oxoquinazolin-3-yl)pentanamide;N-[(1S)-1-[5-(2,6-difluorophenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanamide;(2R)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[2-oxo-4-(trifluoromethyl)piperidin-1-yl]pentanamide
SMILESCC(=O)C[C@H](NC(=O)C(CC(C)C)n1cc(C(F)(F)F)ccc1=O)c1cncc(-c2c(F)cccc2F)c1.CC(=O)C[C@H](NC(=O)C(CC(C)C)n1ccc(C)cc1=O)c1cncc(-c2c(F)cccc2F)c1.CC(=O)C[C@H](NC(=O)[C@@H](CC(C)C)N1CCC(C(F)(F)F)CC1=O)c1cncc(-c2c(C)cccc2C)c1.CC(=O)C[C@H](NC(=O)[C@H](CC(C)C)n1cnc2ccccc2c1=O)c1cncc(-c2c(F)cccc2F)c1
InChIInChI=1S/C29H36F3N3O3.C29H28F2N4O3.C27H26F5N3O3.C27H29F2N3O3/c1-17(2)11-25(35-10-9-23(14-26(35)37)29(30,31)32)28(38)34-24(12-20(5)36)21-13-22(16-33-15-21)27-18(3)7-6-8-19(27)4;1-17(2)11-26(35-16-33-24-10-5-4-7-21(24)29(35)38)28(37)34-25(12-18(3)36)19-13-20(15-32-14-19)27-22(30)8-6-9-23(27)31;1-15(2)9-23(35-14-19(27(30,31)32)7-8-24(35)37)26(38)34-22(10-16(3)36)17-11-18(13-33-12-17)25-20(28)5-4-6-21(25)29;1-16(2)10-24(32-9-8-17(3)11-25(32)34)27(35)31-23(12-18(4)33)19-13-20(15-30-14-19)26-21(28)6-5-7-22(26)29/h6-8,13,15-17,23-25H,9-12,14H2,1-5H3,(H,34,38);4-10,13-17,25-26H,11-12H2,1-3H3,(H,34,37);4-8,11-15,22-23H,9-10H2,1-3H3,(H,34,38);5-9,11,13-16,23-24H,10,12H2,1-4H3,(H,31,35)/t23?,24-,25+;25-,26-;22-,23?;23-,24?/m0000/s1
InChIKeyHTHODCFHDKORLK-DVYZHLENSA-N
XLogP21.43
TPSA335.44 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds36
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002067.24
LogP ≤ 521.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze N-[(1S)-1-[5-(2,6-difluorophenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2S)-N-[(1S)-1-[5-(2,6-difluorophenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-oxoquinazolin-3-yl)pentanamide;N-[(1S)-1-[5-(2,6-difluorophenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanamide;(2R)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[2-oxo-4-(trifluoromethyl)piperidin-1-yl]pentanamide with MolForge

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Related Compounds

N-[3-[(1-ethylpiperidin-4-yl)amino]-1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide
CID 58601594
N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]-3-[(1-propan-2-ylpiperidin-4-yl)amino]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide
CID 58601625
11-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxoethyl]-2-pyridin-4-yl-6H-pyrimido[2,1-b]quinazolin-4-one;11-(2-oxo-2-pyridin-4-ylethyl)-2-pyridin-4-yl-6H-pyrimido[2,1-b]quinazolin-4-one
CID 67079990
11-[2-(3,5-difluorophenyl)-2-oxoethyl]-2-pyridin-4-yl-6H-pyrimido[2,1-b]quinazolin-4-one;11-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-oxoethyl]-2-pyridin-4-yl-6H-pyrimido[2,1-b]quinazolin-4-one
CID 87260756
2-[(3S,5R)-4-(3-fluoro-2-methylphenyl)-3,5-bis(pyridine-3-carbonyl)piperidin-1-yl]-2-[[2-[(3S,5R)-4-(3-fluoro-2-methylphenyl)-3,5-bis(pyridine-3-carbonyl)piperidin-1-yl]acetyl]amino]-N,N-dimethylacetamide
CID 87722571
4-[5-[[2-[4-(2-benzamidoacetyl)piperazin-1-yl]benzoyl]amino]pyridin-2-yl]-2-[4-[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]piperazin-1-yl]-N-pyridin-3-ylbenzamide
CID 90891347
2-[4-[acetyl(cyclohexyl)amino]piperidin-1-yl]-N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenylacetamide;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-phenylpiperidin-1-yl)acetamide;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-piperidin-4-ylpiperidin-1-yl)acetamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]benzamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-pyridin-2-ylbenzamide
CID 91005618
1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]-N-phenylpiperidine-4-carboxamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-phenylbenzamide;1-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-3-phenylurea;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]propanamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-pyridin-2-ylacetamide;4-[3-methyl-5-(trifluoromethyl)phenyl]-1-phenyl-1-[4-(pyridin-2-ylamino)piperidin-1-yl]butan-2-one
CID 91428147
N-(2-amino-2-oxoethyl)-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;N-benzyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-phenylpiperidin-1-yl)acetamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-pyridin-2-ylbenzamide
CID 91511223
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
N-[2,2-difluoro-3-[4-(2-fluorophenyl)phenyl]propyl]-6-[[4-fluoro-3-[4-[1-[2-[(6-methylpyridin-3-yl)amino]-2-oxoethyl]piperidin-4-yl]phenyl]phenyl]methyl]pyridine-3-carboxamide
CID 138722225
2-fluoro-N-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-phenylmethyl]pyridine-3-carboxamide;N-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-phenylmethyl]-3-(trifluoromethyl)pyridine-2-carboxamide
CID 144032819

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[5-(2,6-difluorophenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2S)-N-[(1S)-1-[5-(2,6-difluorophenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-oxoquinazolin-3-yl)pentanamide;N-[(1S)-1-[5-(2,6-difluorophenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanamide;(2R)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[2-oxo-4-(trifluoromethyl)piperidin-1-yl]pentanamide?
The IUPAC name of N-[(1S)-1-[5-(2,6-difluorophenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2S)-N-[(1S)-1-[5-(2,6-difluorophenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-oxoquinazolin-3-yl)pentanamide;N-[(1S)-1-[5-(2,6-difluorophenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanamide;(2R)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[2-oxo-4-(trifluoromethyl)piperidin-1-yl]pentanamide (CID 158581477) is N-[(1S)-1-[5-(2,6-difluorophenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2S)-N-[(1S)-1-[5-(2,6-difluorophenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-oxoquinazolin-3-yl)pentanamide;N-[(1S)-1-[5-(2,6-difluorophenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanamide;(2R)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[2-oxo-4-(trifluoromethyl)piperidin-1-yl]pentanamide.
What is the SMILES notation for N-[(1S)-1-[5-(2,6-difluorophenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2S)-N-[(1S)-1-[5-(2,6-difluorophenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-oxoquinazolin-3-yl)pentanamide;N-[(1S)-1-[5-(2,6-difluorophenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanamide;(2R)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[2-oxo-4-(trifluoromethyl)piperidin-1-yl]pentanamide?
The canonical SMILES for N-[(1S)-1-[5-(2,6-difluorophenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2S)-N-[(1S)-1-[5-(2,6-difluorophenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-oxoquinazolin-3-yl)pentanamide;N-[(1S)-1-[5-(2,6-difluorophenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanamide;(2R)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[2-oxo-4-(trifluoromethyl)piperidin-1-yl]pentanamide is CC(=O)C[C@H](NC(=O)C(CC(C)C)n1cc(C(F)(F)F)ccc1=O)c1cncc(-c2c(F)cccc2F)c1.CC(=O)C[C@H](NC(=O)C(CC(C)C)n1ccc(C)cc1=O)c1cncc(-c2c(F)cccc2F)c1.CC(=O)C[C@H](NC(=O)[C@@H](CC(C)C)N1CCC(C(F)(F)F)CC1=O)c1cncc(-c2c(C)cccc2C)c1.CC(=O)C[C@H](NC(=O)[C@H](CC(C)C)n1cnc2ccccc2c1=O)c1cncc(-c2c(F)cccc2F)c1.
What is the InChIKey of N-[(1S)-1-[5-(2,6-difluorophenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2S)-N-[(1S)-1-[5-(2,6-difluorophenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-oxoquinazolin-3-yl)pentanamide;N-[(1S)-1-[5-(2,6-difluorophenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanamide;(2R)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[2-oxo-4-(trifluoromethyl)piperidin-1-yl]pentanamide?
The InChIKey is HTHODCFHDKORLK-DVYZHLENSA-N. The full InChI is InChI=1S/C29H36F3N3O3.C29H28F2N4O3.C27H26F5N3O3.C27H29F2N3O3/c1-17(2)11-25(35-10-9-23(14-26(35)37)29(30,31)32)28(38)34-24(12-20(5)36)21-13-22(16-33-15-21)27-18(3)7-6-8-19(27)4;1-17(2)11-26(35-16-33-24-10-5-4-7-21(24)29(35)38)28(37)34-25(12-18(3)36)19-13-20(15-32-14-19)27-22(30)8-6-9-23(27)31;1-15(2)9-23(35-14-19(27(30,31)32)7-8-24(35)37)26(38)34-22(10-16(3)36)17-11-18(13-33-12-17)25-20(28)5-4-6-21(25)29;1-16(2)10-24(32-9-8-17(3)11-25(32)34)27(35)31-23(12-18(4)33)19-13-20(15-30-14-19)26-21(28)6-5-7-22(26)29/h6-8,13,15-17,23-25H,9-12,14H2,1-5H3,(H,34,38);4-10,13-17,25-26H,11-12H2,1-3H3,(H,34,37);4-8,11-15,22-23H,9-10H2,1-3H3,(H,34,38);5-9,11,13-16,23-24H,10,12H2,1-4H3,(H,31,35)/t23?,24-,25+;25-,26-;22-,23?;23-,24?/m0000/s1.
What are the key properties of N-[(1S)-1-[5-(2,6-difluorophenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2S)-N-[(1S)-1-[5-(2,6-difluorophenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-oxoquinazolin-3-yl)pentanamide;N-[(1S)-1-[5-(2,6-difluorophenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanamide;(2R)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[2-oxo-4-(trifluoromethyl)piperidin-1-yl]pentanamide?
N-[(1S)-1-[5-(2,6-difluorophenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2S)-N-[(1S)-1-[5-(2,6-difluorophenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-oxoquinazolin-3-yl)pentanamide;N-[(1S)-1-[5-(2,6-difluorophenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanamide;(2R)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[2-oxo-4-(trifluoromethyl)piperidin-1-yl]pentanamide has a molecular weight of 2067.24 g/mol, XLogP of 21.43, 36 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[5-(2,6-difluorophenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2S)-N-[(1S)-1-[5-(2,6-difluorophenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-oxoquinazolin-3-yl)pentanamide;N-[(1S)-1-[5-(2,6-difluorophenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanamide;(2R)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[2-oxo-4-(trifluoromethyl)piperidin-1-yl]pentanamide is sourced from PubChem (CID 158581477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).