N-[(3S)-1-[6-[[(1S)-1-(4-chloro-2-fluorophenyl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-[[(1S)-1-(4-chlorophenyl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-methyl-N-[(3S)-1-[6-(pyridin-3-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide;N-methyl-N-[(3S)-1-[6-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide;3-[(3S)-1-[6-(2-phenylpropan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one

C105H123Cl2F4N21O11 — CID 163650054

IUPACN-[(3S)-1-[6-[[(1S)-1-(4-chloro-2-fluorophenyl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-[[(1S)-1-(4-chlorophenyl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-methyl-N-[(3S)-1-[6-(pyridin-3-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide;N-methyl-N-[(3S)-1-[6-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide;3-[(3S)-1-[6-(2-phenylpropan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one
SMILESCC(=O)N(C)[C@H]1CCN(C(=O)c2ccc(NCc3cccnc3)nc2)C1.CC(=O)N(C)[C@H]1CCN(C(=O)c2ccc(N[C@@H](C)c3ccc(Cl)cc3)nc2)C1.CC(=O)N(C)[C@H]1CCN(C(=O)c2ccc(N[C@@H](C)c3ccc(Cl)cc3F)nc2)C1.CC(=O)N(C)[C@H]1CCN(C(=O)c2ccc(N[C@@H](C)c3cccc(C(F)(F)F)c3)nc2)C1.CC(C)(Nc1ccc(C(=O)N2CC[C@H](N3CCOC3=O)C2)cn1)c1ccccc1
InChIInChI=1S/C22H25F3N4O2.C22H26N4O3.C21H24ClFN4O2.C21H25ClN4O2.C19H23N5O2/c1-14(16-5-4-6-18(11-16)22(23,24)25)27-20-8-7-17(12-26-20)21(31)29-10-9-19(13-29)28(3)15(2)30;1-22(2,17-6-4-3-5-7-17)24-19-9-8-16(14-23-19)20(27)25-11-10-18(15-25)26-12-13-29-21(26)28;1-13(18-6-5-16(22)10-19(18)23)25-20-7-4-15(11-24-20)21(29)27-9-8-17(12-27)26(3)14(2)28;1-14(16-4-7-18(22)8-5-16)24-20-9-6-17(12-23-20)21(28)26-11-10-19(13-26)25(3)15(2)27;1-14(25)23(2)17-7-9-24(13-17)19(26)16-5-6-18(22-12-16)21-11-15-4-3-8-20-10-15/h4-8,11-12,14,19H,9-10,13H2,1-3H3,(H,26,27);3-9,14,18H,10-13,15H2,1-2H3,(H,23,24);4-7,10-11,13,17H,8-9,12H2,1-3H3,(H,24,25);4-9,12,14,19H,10-11,13H2,1-3H3,(H,23,24);3-6,8,10,12,17H,7,9,11,13H2,1-2H3,(H,21,22)/t14-,19-;18-;13-,17-;14-,19-;17-/m00000/s1
InChIKeyILMQHVGUQXJZBP-SYZWEYGGSA-N
MW2002.17 g/mol
LogP16.18
Rot. Bonds25

About N-[(3S)-1-[6-[[(1S)-1-(4-chloro-2-fluorophenyl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-[[(1S)-1-(4-chlorophenyl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-methyl-N-[(3S)-1-[6-(pyridin-3-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide;N-methyl-N-[(3S)-1-[6-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide;3-[(3S)-1-[6-(2-phenylpropan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one

N-[(3S)-1-[6-[[(1S)-1-(4-chloro-2-fluorophenyl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-[[(1S)-1-(4-chlorophenyl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-methyl-N-[(3S)-1-[6-(pyridin-3-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide;N-methyl-N-[(3S)-1-[6-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide;3-[(3S)-1-[6-(2-phenylpropan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one (PubChem CID 163650054) has the molecular formula C105H123Cl2F4N21O11 and a molecular weight of 2002.17 g/mol. Its IUPAC name is N-[(3S)-1-[6-[[(1S)-1-(4-chloro-2-fluorophenyl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-[[(1S)-1-(4-chlorophenyl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-methyl-N-[(3S)-1-[6-(pyridin-3-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide;N-methyl-N-[(3S)-1-[6-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide;3-[(3S)-1-[6-(2-phenylpropan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound NameN-[(3S)-1-[6-[[(1S)-1-(4-chloro-2-fluorophenyl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-[[(1S)-1-(4-chlorophenyl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-methyl-N-[(3S)-1-[6-(pyridin-3-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide;N-methyl-N-[(3S)-1-[6-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide;3-[(3S)-1-[6-(2-phenylpropan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one
PubChem CID163650054
Molecular FormulaC105H123Cl2F4N21O11
Molecular Weight2002.17 g/mol
Exact Mass1999.90
IUPAC NameN-[(3S)-1-[6-[[(1S)-1-(4-chloro-2-fluorophenyl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-[[(1S)-1-(4-chlorophenyl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-methyl-N-[(3S)-1-[6-(pyridin-3-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide;N-methyl-N-[(3S)-1-[6-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide;3-[(3S)-1-[6-(2-phenylpropan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one
SMILESCC(=O)N(C)[C@H]1CCN(C(=O)c2ccc(NCc3cccnc3)nc2)C1.CC(=O)N(C)[C@H]1CCN(C(=O)c2ccc(N[C@@H](C)c3ccc(Cl)cc3)nc2)C1.CC(=O)N(C)[C@H]1CCN(C(=O)c2ccc(N[C@@H](C)c3ccc(Cl)cc3F)nc2)C1.CC(=O)N(C)[C@H]1CCN(C(=O)c2ccc(N[C@@H](C)c3cccc(C(F)(F)F)c3)nc2)C1.CC(C)(Nc1ccc(C(=O)N2CC[C@H](N3CCOC3=O)C2)cn1)c1ccccc1
InChIInChI=1S/C22H25F3N4O2.C22H26N4O3.C21H24ClFN4O2.C21H25ClN4O2.C19H23N5O2/c1-14(16-5-4-6-18(11-16)22(23,24)25)27-20-8-7-17(12-26-20)21(31)29-10-9-19(13-29)28(3)15(2)30;1-22(2,17-6-4-3-5-7-17)24-19-9-8-16(14-23-19)20(27)25-11-10-18(15-25)26-12-13-29-21(26)28;1-13(18-6-5-16(22)10-19(18)23)25-20-7-4-15(11-24-20)21(29)27-9-8-17(12-27)26(3)14(2)28;1-14(16-4-7-18(22)8-5-16)24-20-9-6-17(12-23-20)21(28)26-11-10-19(13-26)25(3)15(2)27;1-14(25)23(2)17-7-9-24(13-17)19(26)16-5-6-18(22-12-16)21-11-15-4-3-8-20-10-15/h4-8,11-12,14,19H,9-10,13H2,1-3H3,(H,26,27);3-9,14,18H,10-13,15H2,1-2H3,(H,23,24);4-7,10-11,13,17H,8-9,12H2,1-3H3,(H,24,25);4-9,12,14,19H,10-11,13H2,1-3H3,(H,23,24);3-6,8,10,12,17H,7,9,11,13H2,1-2H3,(H,21,22)/t14-,19-;18-;13-,17-;14-,19-;17-/m00000/s1
InChIKeyILMQHVGUQXJZBP-SYZWEYGGSA-N
XLogP16.18
TPSA349.82 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds25
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002002.17
LogP ≤ 516.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Analyze N-[(3S)-1-[6-[[(1S)-1-(4-chloro-2-fluorophenyl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-[[(1S)-1-(4-chlorophenyl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-methyl-N-[(3S)-1-[6-(pyridin-3-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide;N-methyl-N-[(3S)-1-[6-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide;3-[(3S)-1-[6-(2-phenylpropan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one 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

3-(6-chloro-3-pyridinyl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-N,3-N-dimethyl-1-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;1-N-ethyl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;3-fluoro-4-phenyl-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-(morpholine-4-carbonyl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-N-propan-2-yl-1-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide
CID 161222392
CID 161918283
CID 161918283
N-[(3S)-1-[6-[(4-chlorophenyl)methylamino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-[[(1S)-1-(6-chloro-3-pyridinyl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-[(6-chloro-3-pyridinyl)methylamino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N,1-dimethylcyclobutane-1-carboxamide;3,3-difluoro-N-methyl-N-[(3S)-1-[6-(2-phenylpropan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]cyclobutane-1-carboxamide;N-[(3S)-1-[6-[[6-(dimethylamino)-3-pyridinyl]methylamino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide;3-methyl-1-[6-[[(1S)-1-phenylethyl]amino]pyridine-3-carbonyl]pyrrolidine-3-carbonitrile;N-methyl-N-[(3S)-1-[6-(2-phenylpropan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide
CID 163677209
N-[(3S)-1-[6-[[(1S)-1-(4-chlorophenyl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-methyl-N-[(3S)-1-[6-(pyridin-3-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide;N-methyl-N-[(3S)-1-[6-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide;3-[(3S)-1-[6-(2-phenylpropan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one
CID 164175260
1-[(3S)-1-[(2R)-2-(3-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one;N-[(3S)-1-(7,7-dimethyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylcyclobutanecarboxamide;N-[(3S)-1-(7,7-dimethyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide;N-[(3S)-1-[(2R)-2-(3-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;3-[(3S)-1-[(2R)-2-(3-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;1-[(3S)-1-[(2R)-2-(3-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one
CID 157350386
4-chloro-N-[1-[5-(morpholin-4-ylmethyl)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-chloro-N-[1-[5-(piperazin-1-ylmethyl)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-fluoro-N-[1-[5-(morpholin-4-ylmethyl)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-fluoro-N-[1-[5-(piperazin-1-ylmethyl)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-methyl-N-[1-[5-(morpholin-4-ylmethyl)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide;4-methyl-N-[1-[5-(piperazin-1-ylmethyl)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylbenzamide
CID 157967665
3-[(3S)-1-[(2R)-2-(3-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;1-[(3S)-1-[(2R)-2-(3-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one;N-[(3S)-1-(7,7-dimethyl-6,8-dihydro-5H-1,8-naphthyridine-3-carbonyl)pyrrolidin-3-yl]-N-methylcyclopropanecarboxamide;N-[(3S)-1-[(2R)-2-(3-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide
CID 158041769
6-(4-chlorophenyl)-1-methyl-3-[(2S)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-5-pyridin-4-ylpyridin-2-one;6-(4-chlorophenyl)-1-methyl-3-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-5-pyridin-4-ylpyridin-2-one;3-(3-cyclopropylphenyl)-1-methyl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;3-(3-ethenylphenyl)-1-methyl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-methyl-3-(3-methylphenyl)-4-[2-[[(1S)-1-phenylethyl]amino]-4-pyridinyl]pyridin-2-one;1-methyl-3-(3-methylphenyl)-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one
CID 158170278
4-[[2-(4-chlorophenyl)-6-(2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[[2-(4-chlorophenyl)-6-(3-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[[2-(4-chlorophenyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[[2-(4-chlorophenyl)-6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[[2-(4-chlorophenyl)-6-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;N-ethyl-3-(morpholin-4-ylmethyl)-6-phenylimidazo[1,2-a]pyridine-2-carboxamide
CID 158282088
5-[2-(4-chlorophenyl)ethynyl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(E)-3-(2H-pyrrol-4-yl)prop-2-enyl]pyridine-3-carboxamide;3-[2-(4-chlorophenyl)ethynyl]-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[3-(2H-pyrrol-4-yl)propyl]benzamide;5-[2-(4-chlorophenyl)ethynyl]-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[3-(2H-pyrrol-4-yl)propyl]pyridine-3-carboxamide;6-(3,5-dimethylpiperidin-1-yl)-5-[2-(4-fluorophenyl)ethynyl]-N-[3-(2H-pyrrol-4-yl)propyl]pyridine-3-carboxamide;5-[2-(4-fluorophenyl)ethynyl]-6-(3-methylpiperazin-1-yl)-N-[3-(2H-pyrrol-4-yl)propyl]pyridine-3-carboxamide
CID 158440463
(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[6-methyl-4-(morpholine-4-carbonyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide;(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[6-methyl-4-(pyrrolidine-1-carbonyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide;(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[4-(morpholine-4-carbonyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide;2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,N,6-trimethylpyridine-4-carboxamide;(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxo-N-[4-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyrrolidine-2-carboxamide
CID 158688322
N-[(3S)-1-[(2R)-2-(4-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;3-[(3S)-1-[(2R)-2-(4-chlorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one;N-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;1-[(3S)-1-[(2R)-2-(4-fluorophenyl)-2-methyl-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonyl]pyrrolidin-3-yl]pyrrolidin-2-one
CID 158691816

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[6-[[(1S)-1-(4-chloro-2-fluorophenyl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-[[(1S)-1-(4-chlorophenyl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-methyl-N-[(3S)-1-[6-(pyridin-3-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide;N-methyl-N-[(3S)-1-[6-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide;3-[(3S)-1-[6-(2-phenylpropan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one?
The IUPAC name of N-[(3S)-1-[6-[[(1S)-1-(4-chloro-2-fluorophenyl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-[[(1S)-1-(4-chlorophenyl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-methyl-N-[(3S)-1-[6-(pyridin-3-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide;N-methyl-N-[(3S)-1-[6-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide;3-[(3S)-1-[6-(2-phenylpropan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one (CID 163650054) is N-[(3S)-1-[6-[[(1S)-1-(4-chloro-2-fluorophenyl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-[[(1S)-1-(4-chlorophenyl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-methyl-N-[(3S)-1-[6-(pyridin-3-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide;N-methyl-N-[(3S)-1-[6-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide;3-[(3S)-1-[6-(2-phenylpropan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for N-[(3S)-1-[6-[[(1S)-1-(4-chloro-2-fluorophenyl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-[[(1S)-1-(4-chlorophenyl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-methyl-N-[(3S)-1-[6-(pyridin-3-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide;N-methyl-N-[(3S)-1-[6-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide;3-[(3S)-1-[6-(2-phenylpropan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for N-[(3S)-1-[6-[[(1S)-1-(4-chloro-2-fluorophenyl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-[[(1S)-1-(4-chlorophenyl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-methyl-N-[(3S)-1-[6-(pyridin-3-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide;N-methyl-N-[(3S)-1-[6-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide;3-[(3S)-1-[6-(2-phenylpropan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one is CC(=O)N(C)[C@H]1CCN(C(=O)c2ccc(NCc3cccnc3)nc2)C1.CC(=O)N(C)[C@H]1CCN(C(=O)c2ccc(N[C@@H](C)c3ccc(Cl)cc3)nc2)C1.CC(=O)N(C)[C@H]1CCN(C(=O)c2ccc(N[C@@H](C)c3ccc(Cl)cc3F)nc2)C1.CC(=O)N(C)[C@H]1CCN(C(=O)c2ccc(N[C@@H](C)c3cccc(C(F)(F)F)c3)nc2)C1.CC(C)(Nc1ccc(C(=O)N2CC[C@H](N3CCOC3=O)C2)cn1)c1ccccc1.
What is the InChIKey of N-[(3S)-1-[6-[[(1S)-1-(4-chloro-2-fluorophenyl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-[[(1S)-1-(4-chlorophenyl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-methyl-N-[(3S)-1-[6-(pyridin-3-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide;N-methyl-N-[(3S)-1-[6-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide;3-[(3S)-1-[6-(2-phenylpropan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one?
The InChIKey is ILMQHVGUQXJZBP-SYZWEYGGSA-N. The full InChI is InChI=1S/C22H25F3N4O2.C22H26N4O3.C21H24ClFN4O2.C21H25ClN4O2.C19H23N5O2/c1-14(16-5-4-6-18(11-16)22(23,24)25)27-20-8-7-17(12-26-20)21(31)29-10-9-19(13-29)28(3)15(2)30;1-22(2,17-6-4-3-5-7-17)24-19-9-8-16(14-23-19)20(27)25-11-10-18(15-25)26-12-13-29-21(26)28;1-13(18-6-5-16(22)10-19(18)23)25-20-7-4-15(11-24-20)21(29)27-9-8-17(12-27)26(3)14(2)28;1-14(16-4-7-18(22)8-5-16)24-20-9-6-17(12-23-20)21(28)26-11-10-19(13-26)25(3)15(2)27;1-14(25)23(2)17-7-9-24(13-17)19(26)16-5-6-18(22-12-16)21-11-15-4-3-8-20-10-15/h4-8,11-12,14,19H,9-10,13H2,1-3H3,(H,26,27);3-9,14,18H,10-13,15H2,1-2H3,(H,23,24);4-7,10-11,13,17H,8-9,12H2,1-3H3,(H,24,25);4-9,12,14,19H,10-11,13H2,1-3H3,(H,23,24);3-6,8,10,12,17H,7,9,11,13H2,1-2H3,(H,21,22)/t14-,19-;18-;13-,17-;14-,19-;17-/m00000/s1.
What are the key properties of N-[(3S)-1-[6-[[(1S)-1-(4-chloro-2-fluorophenyl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-[[(1S)-1-(4-chlorophenyl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-methyl-N-[(3S)-1-[6-(pyridin-3-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide;N-methyl-N-[(3S)-1-[6-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide;3-[(3S)-1-[6-(2-phenylpropan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one?
N-[(3S)-1-[6-[[(1S)-1-(4-chloro-2-fluorophenyl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-[[(1S)-1-(4-chlorophenyl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-methyl-N-[(3S)-1-[6-(pyridin-3-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide;N-methyl-N-[(3S)-1-[6-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide;3-[(3S)-1-[6-(2-phenylpropan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one has a molecular weight of 2002.17 g/mol, XLogP of 16.18, 25 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[6-[[(1S)-1-(4-chloro-2-fluorophenyl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-[(3S)-1-[6-[[(1S)-1-(4-chlorophenyl)ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide;N-methyl-N-[(3S)-1-[6-(pyridin-3-ylmethylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide;N-methyl-N-[(3S)-1-[6-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide;3-[(3S)-1-[6-(2-phenylpropan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 163650054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).