(2S)-N-[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide

C222H254F4N38O8 — CID 167635331

IUPAC(2S)-N-[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide
SMILESCCN1CCN(c2ccc(NC(=O)[C@@H](NCCc3ccc(C)cc3)c3ccccc3)cn2)CC1.CCN1CCN(c2ccc(NC(=O)[C@H](NCCc3ccc(C)cc3)c3ccccc3)cn2)CC1.Cc1ccc(CCN[C@@H](C(=O)Nc2ccc(N3CCC(F)(F)CC3)cn2)c2ccccc2)cc1.Cc1ccc(CCN[C@H](C(=O)Nc2ccc(N3CCC(F)(F)CC3)cn2)c2ccccc2)cc1.Cc1ccc([C@@H](C)CN[C@@H](C(=O)Nc2ccc(-c3cnn(C)c3)c(C)n2)c2ccccc2)cc1.Cc1ccc([C@@H](C)CN[C@H](C(=O)Nc2ccc(-c3cnn(C)c3)c(C)n2)c2ccccc2)cc1.Cc1ccc([C@H](C)CN[C@@H](C(=O)Nc2ccc(-c3cnn(C)c3)c(C)n2)c2ccccc2)cc1.Cc1ccc([C@H](C)CN[C@H](C(=O)Nc2ccc(-c3cnn(C)c3)c(C)n2)c2ccccc2)cc1
InChIInChI=1S/4C28H31N5O.2C28H35N5O.2C27H30F2N4O/c4*1-19-10-12-22(13-11-19)20(2)16-29-27(23-8-6-5-7-9-23)28(34)32-26-15-14-25(21(3)31-26)24-17-30-33(4)18-24;2*1-3-32-17-19-33(20-18-32)26-14-13-25(21-30-26)31-28(34)27(24-7-5-4-6-8-24)29-16-15-23-11-9-22(2)10-12-23;2*1-20-7-9-21(10-8-20)13-16-30-25(22-5-3-2-4-6-22)26(34)32-24-12-11-23(19-31-24)33-17-14-27(28,29)15-18-33/h4*5-15,17-18,20,27,29H,16H2,1-4H3,(H,31,32,34);2*4-14,21,27,29H,3,15-20H2,1-2H3,(H,31,34);2*2-12,19,25,30H,13-18H2,1H3,(H,31,32,34)/t2*20-,27+;2*20-,27-;2*27-;2*25-/m10101010/s1
InChIKeyOJWHAZWCNXJINL-YHNYFPROSA-N
MW3658.72 g/mol
LogP39.05
Rot. Bonds66

About (2S)-N-[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide

(2S)-N-[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide (PubChem CID 167635331) has the molecular formula C222H254F4N38O8 and a molecular weight of 3658.72 g/mol. Its IUPAC name is (2S)-N-[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide
PubChem CID167635331
Molecular FormulaC222H254F4N38O8
Molecular Weight3658.72 g/mol
Exact Mass3656.06
IUPAC Name(2S)-N-[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide
SMILESCCN1CCN(c2ccc(NC(=O)[C@@H](NCCc3ccc(C)cc3)c3ccccc3)cn2)CC1.CCN1CCN(c2ccc(NC(=O)[C@H](NCCc3ccc(C)cc3)c3ccccc3)cn2)CC1.Cc1ccc(CCN[C@@H](C(=O)Nc2ccc(N3CCC(F)(F)CC3)cn2)c2ccccc2)cc1.Cc1ccc(CCN[C@H](C(=O)Nc2ccc(N3CCC(F)(F)CC3)cn2)c2ccccc2)cc1.Cc1ccc([C@@H](C)CN[C@@H](C(=O)Nc2ccc(-c3cnn(C)c3)c(C)n2)c2ccccc2)cc1.Cc1ccc([C@@H](C)CN[C@H](C(=O)Nc2ccc(-c3cnn(C)c3)c(C)n2)c2ccccc2)cc1.Cc1ccc([C@H](C)CN[C@@H](C(=O)Nc2ccc(-c3cnn(C)c3)c(C)n2)c2ccccc2)cc1.Cc1ccc([C@H](C)CN[C@H](C(=O)Nc2ccc(-c3cnn(C)c3)c(C)n2)c2ccccc2)cc1
InChIInChI=1S/4C28H31N5O.2C28H35N5O.2C27H30F2N4O/c4*1-19-10-12-22(13-11-19)20(2)16-29-27(23-8-6-5-7-9-23)28(34)32-26-15-14-25(21(3)31-26)24-17-30-33(4)18-24;2*1-3-32-17-19-33(20-18-32)26-14-13-25(21-30-26)31-28(34)27(24-7-5-4-6-8-24)29-16-15-23-11-9-22(2)10-12-23;2*1-20-7-9-21(10-8-20)13-16-30-25(22-5-3-2-4-6-22)26(34)32-24-12-11-23(19-31-24)33-17-14-27(28,29)15-18-33/h4*5-15,17-18,20,27,29H,16H2,1-4H3,(H,31,32,34);2*4-14,21,27,29H,3,15-20H2,1-2H3,(H,31,34);2*2-12,19,25,30H,13-18H2,1H3,(H,31,32,34)/t2*20-,27+;2*20-,27-;2*27-;2*25-/m10101010/s1
InChIKeyOJWHAZWCNXJINL-YHNYFPROSA-N
XLogP39.05
TPSA522.88 Ų
H-Bond Donors16
H-Bond Acceptors38
Rotatable Bonds66
Heavy Atoms272
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003658.72
LogP ≤ 539.05
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1038

Analyze (2S)-N-[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[4-Amino-5-(2-benzylindazol-6-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]piperidin-1-yl]-2-piperazin-1-yl-2-[4-(trifluoromethyl)phenyl]ethanone
CID 58529884
bis[(1S)-1-[5-[4-[2-fluoro-4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-1-methylpyrazol-5-yl]tetrazol-1-yl]ethyl] carbonate
CID 121268232
[3-Methyl-4-[[4-[4-methyl-2-[3-methyl-2-[[[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]piperidine-1-carbonyl]phenyl]pyrazol-1-yl]methyl]-2-[[[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]piperidin-1-yl]-(5-methyl-2-pyridin-3-ylphenyl)methanone
CID 123596889
[5-Methyl-2-[1-[2-[1-(5-methyl-2-pyrazin-2-ylbenzoyl)-2-[[[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]piperidin-3-yl]ethyl]pyrazol-3-yl]phenyl]-[3-methyl-2-[[[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]piperidin-1-yl]methanone
CID 123736718
4-[4-[[3-[[2-[1-fluoro-4-[[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]carbamoyl]cyclohexyl]-1,4-dimethyl-2H-pyridin-6-yl]amino]-5-methylpyrazol-1-yl]methyl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]cyclohex-3-ene-1-carboxamide
CID 129125736
4-[6-[4-[(2R)-1-[1-[2-[4-[6-[4-(4-fluoro-1-propan-2-ylpiperidin-4-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carbonyl]cyclopropyl]propan-2-yl]-2-methylpyrrolidin-2-yl]phenyl]pyrrolo[1,2-b]pyridazin-4-yl]-N-propan-2-ylpiperazine-1-carboxamide
CID 132034215
1-N-[[4-[5-[1-[6-[(4-tert-butylbenzoyl)amino]-3-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-3-pyridinyl]cyclohexyl]methyl]-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide
CID 143484182
ethane;[5-methyl-2-(1-methylpyrazol-3-yl)phenyl]-[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone;(5-methyl-2-pyrazin-2-ylphenyl)-[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 144903001
2-[2-[2-[2-[[1-(1-Acetylpiperidin-4-yl)pyrazol-4-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[2-[2-[2-[[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]ethyl]phenyl]acetamide
CID 144903490
4-[4-[[5-[[6-[1-fluoro-4-[[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]carbamoyl]cyclohexyl]-4-methyl-2-pyridinyl]amino]-3-methyl-1,5-dihydropyrazol-2-yl]methyl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]cyclohex-3-ene-1-carboxamide
CID 145307270
N-[(1S)-1-[(1R)-7-[2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-pyridinyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[4-(1,4-dimethylpyrazol-5-yl)anilino]-2-oxoethyl]-1-fluorocyclopropane-1-carboxamide
CID 155690901
2-[2-[[4-[1-[2-oxo-2-[(5-pyrazin-2-yl-2-pyridinyl)amino]ethyl]pyrazol-4-yl]-6-(trifluoromethyl)-2-pyridinyl]methyl]-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 156076085

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide?
The IUPAC name of (2S)-N-[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide (CID 167635331) is (2S)-N-[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide.
What is the SMILES notation for (2S)-N-[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide?
The canonical SMILES for (2S)-N-[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide is CCN1CCN(c2ccc(NC(=O)[C@@H](NCCc3ccc(C)cc3)c3ccccc3)cn2)CC1.CCN1CCN(c2ccc(NC(=O)[C@H](NCCc3ccc(C)cc3)c3ccccc3)cn2)CC1.Cc1ccc(CCN[C@@H](C(=O)Nc2ccc(N3CCC(F)(F)CC3)cn2)c2ccccc2)cc1.Cc1ccc(CCN[C@H](C(=O)Nc2ccc(N3CCC(F)(F)CC3)cn2)c2ccccc2)cc1.Cc1ccc([C@@H](C)CN[C@@H](C(=O)Nc2ccc(-c3cnn(C)c3)c(C)n2)c2ccccc2)cc1.Cc1ccc([C@@H](C)CN[C@H](C(=O)Nc2ccc(-c3cnn(C)c3)c(C)n2)c2ccccc2)cc1.Cc1ccc([C@H](C)CN[C@@H](C(=O)Nc2ccc(-c3cnn(C)c3)c(C)n2)c2ccccc2)cc1.Cc1ccc([C@H](C)CN[C@H](C(=O)Nc2ccc(-c3cnn(C)c3)c(C)n2)c2ccccc2)cc1.
What is the InChIKey of (2S)-N-[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide?
The InChIKey is OJWHAZWCNXJINL-YHNYFPROSA-N. The full InChI is InChI=1S/4C28H31N5O.2C28H35N5O.2C27H30F2N4O/c4*1-19-10-12-22(13-11-19)20(2)16-29-27(23-8-6-5-7-9-23)28(34)32-26-15-14-25(21(3)31-26)24-17-30-33(4)18-24;2*1-3-32-17-19-33(20-18-32)26-14-13-25(21-30-26)31-28(34)27(24-7-5-4-6-8-24)29-16-15-23-11-9-22(2)10-12-23;2*1-20-7-9-21(10-8-20)13-16-30-25(22-5-3-2-4-6-22)26(34)32-24-12-11-23(19-31-24)33-17-14-27(28,29)15-18-33/h4*5-15,17-18,20,27,29H,16H2,1-4H3,(H,31,32,34);2*4-14,21,27,29H,3,15-20H2,1-2H3,(H,31,34);2*2-12,19,25,30H,13-18H2,1H3,(H,31,32,34)/t2*20-,27+;2*20-,27-;2*27-;2*25-/m10101010/s1.
What are the key properties of (2S)-N-[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide?
(2S)-N-[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide has a molecular weight of 3658.72 g/mol, XLogP of 39.05, 66 rotatable bonds, 16 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide is sourced from PubChem (CID 167635331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).