5-[3-(aminomethyl)phenyl]-N-[(1S)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]furan-2-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]morpholine-2-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]oxane-4-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]piperidine-3-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-3-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;1-methyl-N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide

C162H206N26O30 — CID 158887165

IUPAC5-[3-(aminomethyl)phenyl]-N-[(1S)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]furan-2-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]morpholine-2-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]oxane-4-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]piperidine-3-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-3-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;1-methyl-N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CN)c2)o1)C1CCOCC1.CNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CNC(=O)C3CCCN3)c2)o1)C(C)C.CNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CNC(=O)C3CCCN3C)c2)o1)C(C)C.CNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CNC(=O)C3CCCNC3)c2)o1)C(C)C.CNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CNC(=O)C3CCOCC3)c2)o1)C(C)C.CNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CNC(=O)C3CNCCO3)c2)o1)C(C)C.CNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CNC(=O)c3cccnc3)c2)o1)C(C)C
InChIInChI=1S/2C24H32N4O4.C24H26N4O4.C24H31N3O5.C23H30N4O5.C23H30N4O4.C20H25N3O4/c1-15(2)21(24(31)25-3)27-23(30)20-11-10-19(32-20)17-8-5-7-16(13-17)14-26-22(29)18-9-6-12-28(18)4;2*1-15(2)21(24(31)25-3)28-23(30)20-10-9-19(32-20)17-7-4-6-16(12-17)13-27-22(29)18-8-5-11-26-14-18;1-15(2)21(24(30)25-3)27-23(29)20-8-7-19(32-20)18-6-4-5-16(13-18)14-26-22(28)17-9-11-31-12-10-17;1-14(2)20(23(30)24-3)27-22(29)18-8-7-17(32-18)16-6-4-5-15(11-16)12-26-21(28)19-13-25-9-10-31-19;1-14(2)20(23(30)24-3)27-22(29)19-10-9-18(31-19)16-7-4-6-15(12-16)13-26-21(28)17-8-5-11-25-17;1-22-20(25)18(14-7-9-26-10-8-14)23-19(24)17-6-5-16(27-17)15-4-2-3-13(11-15)12-21/h5,7-8,10-11,13,15,18,21H,6,9,12,14H2,1-4H3,(H,25,31)(H,26,29)(H,27,30);4,6-7,9-10,12,15,18,21,26H,5,8,11,13-14H2,1-3H3,(H,25,31)(H,27,29)(H,28,30);4-12,14-15,21H,13H2,1-3H3,(H,25,31)(H,27,29)(H,28,30);4-8,13,15,17,21H,9-12,14H2,1-3H3,(H,25,30)(H,26,28)(H,27,29);4-8,11,14,19-20,25H,9-10,12-13H2,1-3H3,(H,24,30)(H,26,28)(H,27,29);4,6-7,9-10,12,14,17,20,25H,5,8,11,13H2,1-3H3,(H,24,30)(H,26,28)(H,27,29);2-6,11,14,18H,7-10,12,21H2,1H3,(H,22,25)(H,23,24)/t2*18?,21-;2*21-;19?,20-;17?,20-;18-/m0000000/s1
InChIKeyJDTVBKOSNDUISE-XSPVAQHMSA-N
MW2997.58 g/mol
LogP14.03
Rot. Bonds54

About 5-[3-(aminomethyl)phenyl]-N-[(1S)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]furan-2-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]morpholine-2-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]oxane-4-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]piperidine-3-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-3-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;1-methyl-N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide

5-[3-(aminomethyl)phenyl]-N-[(1S)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]furan-2-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]morpholine-2-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]oxane-4-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]piperidine-3-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-3-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;1-methyl-N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 158887165) has the molecular formula C162H206N26O30 and a molecular weight of 2997.58 g/mol. Its IUPAC name is 5-[3-(aminomethyl)phenyl]-N-[(1S)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]furan-2-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]morpholine-2-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]oxane-4-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]piperidine-3-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-3-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;1-methyl-N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name5-[3-(aminomethyl)phenyl]-N-[(1S)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]furan-2-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]morpholine-2-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]oxane-4-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]piperidine-3-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-3-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;1-methyl-N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID158887165
Molecular FormulaC162H206N26O30
Molecular Weight2997.58 g/mol
Exact Mass2995.54
IUPAC Name5-[3-(aminomethyl)phenyl]-N-[(1S)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]furan-2-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]morpholine-2-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]oxane-4-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]piperidine-3-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-3-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;1-methyl-N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CN)c2)o1)C1CCOCC1.CNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CNC(=O)C3CCCN3)c2)o1)C(C)C.CNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CNC(=O)C3CCCN3C)c2)o1)C(C)C.CNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CNC(=O)C3CCCNC3)c2)o1)C(C)C.CNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CNC(=O)C3CCOCC3)c2)o1)C(C)C.CNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CNC(=O)C3CNCCO3)c2)o1)C(C)C.CNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CNC(=O)c3cccnc3)c2)o1)C(C)C
InChIInChI=1S/2C24H32N4O4.C24H26N4O4.C24H31N3O5.C23H30N4O5.C23H30N4O4.C20H25N3O4/c1-15(2)21(24(31)25-3)27-23(30)20-11-10-19(32-20)17-8-5-7-16(13-17)14-26-22(29)18-9-6-12-28(18)4;2*1-15(2)21(24(31)25-3)28-23(30)20-10-9-19(32-20)17-7-4-6-16(12-17)13-27-22(29)18-8-5-11-26-14-18;1-15(2)21(24(30)25-3)27-23(29)20-8-7-19(32-20)18-6-4-5-16(13-18)14-26-22(28)17-9-11-31-12-10-17;1-14(2)20(23(30)24-3)27-22(29)18-8-7-17(32-18)16-6-4-5-15(11-16)12-26-21(28)19-13-25-9-10-31-19;1-14(2)20(23(30)24-3)27-22(29)19-10-9-18(31-19)16-7-4-6-15(12-16)13-26-21(28)17-8-5-11-25-17;1-22-20(25)18(14-7-9-26-10-8-14)23-19(24)17-6-5-16(27-17)15-4-2-3-13(11-15)12-21/h5,7-8,10-11,13,15,18,21H,6,9,12,14H2,1-4H3,(H,25,31)(H,26,29)(H,27,30);4,6-7,9-10,12,15,18,21,26H,5,8,11,13-14H2,1-3H3,(H,25,31)(H,27,29)(H,28,30);4-12,14-15,21H,13H2,1-3H3,(H,25,31)(H,27,29)(H,28,30);4-8,13,15,17,21H,9-12,14H2,1-3H3,(H,25,30)(H,26,28)(H,27,29);4-8,11,14,19-20,25H,9-10,12-13H2,1-3H3,(H,24,30)(H,26,28)(H,27,29);4,6-7,9-10,12,14,17,20,25H,5,8,11,13H2,1-3H3,(H,24,30)(H,26,28)(H,27,29);2-6,11,14,18H,7-10,12,21H2,1H3,(H,22,25)(H,23,24)/t2*18?,21-;2*21-;19?,20-;17?,20-;18-/m0000000/s1
InChIKeyJDTVBKOSNDUISE-XSPVAQHMSA-N
XLogP14.03
TPSA779.91 Ų
H-Bond Donors24
H-Bond Acceptors36
Rotatable Bonds54
Heavy Atoms218
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002997.58
LogP ≤ 514.03
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1036

Analyze 5-[3-(aminomethyl)phenyl]-N-[(1S)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]furan-2-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]morpholine-2-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]oxane-4-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]piperidine-3-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-3-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;1-methyl-N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

(R)-N-(3-(5-(1-cyclohexyl-2-(methylamino)-2-oxoethylcarbamoyl)furan-2-yl)benzyl)nicotinamide
CID 49865379
2-chloro-N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-4-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-fluoropyridine-4-carboxamide;N-[4-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-5-methylpyridine-3-carboxamide;N-[4-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-6-methylpyridine-2-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 159846809
5,5-difluoro-1-[4-(furan-2-yl)pyridine-2-carbonyl]-N-(4-methylphenyl)piperidine-3-carboxamide;5,5-difluoro-1-[5-(furan-2-yl)pyridine-3-carbonyl]-N-(4-methylphenyl)piperidine-3-carboxamide;1-[3-(furan-2-yl)benzoyl]-5,5-dimethoxy-N-(4-methylphenyl)piperidine-3-carboxamide;1-[3-(furan-2-yl)benzoyl]-5-hydroxy-N-(4-methylphenyl)piperidine-3-carboxamide;1-[4-(furan-2-yl)pyridine-2-carbonyl]-N-(4-methylphenyl)piperidine-3-carboxamide;1-[5-(furan-2-yl)pyridine-3-carbonyl]-N-(4-methylphenyl)piperidine-3-carboxamide
CID 161512448
N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4,4-difluoropyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-fluoropyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-methylidenepyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-phenylmethoxypyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-(furo[3,2-c]pyridin-2-ylmethyl)-4-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 167671847
(3S)-3-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-[5-[5-[(1S)-1-pyridin-4-ylethoxy]-2-pyridinyl]furan-2-carbonyl]amino]-N',2-dimethylbutanediamide;N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[5-[(1R)-1-pyridin-2-ylethoxy]-2-pyridinyl]furan-2-carboxamide;N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[5-(1-pyridin-3-ylethoxy)-2-pyridinyl]furan-2-carboxamide
CID 87228574
N-[1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)-3-pyridin-3-ylpropan-2-yl]-3-phenoxybenzamide;3-oxo-4-[2-[[1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)-3-pyridin-3-ylpropan-2-yl]-(4-phenoxybenzoyl)amino]-3-pyridin-3-ylpropanoyl]-6,6a-dihydro-5H-furo[3,2-b]pyrrole-3a-carboxamide
CID 88105189
N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[5-[[5-[3-[2-(methylamino)-2-oxo-1-[[5-(5-phenylmethoxy-2-pyridinyl)furan-2-carbonyl]amino]ethyl]cyclohexyl]-3-pyridinyl]methoxy]-2-pyridinyl]furan-2-carboxamide
CID 91326304
N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[5-[[5-[3-[(1S)-2-(methylamino)-2-oxo-1-[[5-(5-phenylmethoxy-2-pyridinyl)furan-2-carbonyl]amino]ethyl]cyclohexyl]-3-pyridinyl]methoxy]-2-pyridinyl]furan-2-carboxamide
CID 143994786
N-[3-(1-benzofuran-2-carbonylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide;bis(N-[3-[(5-methylfuran-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide);bis(N-[3-[(6-methylpyrazine-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide);N-[3-[(4-methylpyridine-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyridine-3-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(3-phenylfuran-2-carbonyl)amino]propyl]-1,2-oxazole-3-carboxamide
CID 157222878
N-[4-[5-[[(1S)-1-cyclohexyl-2-(1-methoxypropan-2-ylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-1-benzofuran-2-carboxamide;N-[4-[5-[[(1S)-1-cyclohexyl-2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-6-methylpyridine-2-carboxamide;N-[4-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-5-methylfuran-2-carboxamide;N-[4-[5-[[(1S)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-6-methylpyridine-2-carboxamide;N-[(1S)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]-5-[4-[(5-methyl-3H-pyrrol-4-yl)methoxy]phenyl]furan-2-carboxamide;N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-5-[5-[(5-methyl-3H-pyrrol-4-yl)methoxy]-2-pyridinyl]furan-2-carboxamide;6-methyl-N-[4-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]pyridine-2-carboxamide
CID 158232002
N-[[4-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-methylfuran-3-carboxamide;N-[[4-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-3-methylfuran-2-carboxamide;N-[[4-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-5-methylfuran-2-carboxamide;N-[[4-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-1-methylpyrazole-3-carboxamide;N-[[4-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-1-methylpyrazole-4-carboxamide;N-[[4-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-5-methylpyridine-3-carboxamide;N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-[4-[(propanoylamino)methyl]phenyl]furan-2-carboxamide
CID 158451093
[4-[5-cyclohexyl-6-[(3S)-pyrrolidin-3-yl]oxypyridine-3-carbonyl]piperazin-1-yl]-(3-methyl-5-piperazin-1-ylphenyl)methanone;[4-[5-(3,4-difluorophenyl)-6-[(3S)-pyrrolidin-3-yl]oxypyridine-3-carbonyl]piperazin-1-yl]-(3-methyl-5-piperazin-1-ylphenyl)methanone;[4-[5-(4-fluorophenyl)-6-[(3S)-pyrrolidin-3-yl]oxypyridine-3-carbonyl]piperazin-1-yl]-(3-methyl-5-piperidin-4-ylphenyl)methanone
CID 158622091

Frequently Asked Questions

What is the IUPAC name of 5-[3-(aminomethyl)phenyl]-N-[(1S)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]furan-2-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]morpholine-2-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]oxane-4-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]piperidine-3-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-3-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;1-methyl-N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 5-[3-(aminomethyl)phenyl]-N-[(1S)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]furan-2-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]morpholine-2-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]oxane-4-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]piperidine-3-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-3-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;1-methyl-N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide (CID 158887165) is 5-[3-(aminomethyl)phenyl]-N-[(1S)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]furan-2-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]morpholine-2-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]oxane-4-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]piperidine-3-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-3-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;1-methyl-N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 5-[3-(aminomethyl)phenyl]-N-[(1S)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]furan-2-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]morpholine-2-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]oxane-4-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]piperidine-3-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-3-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;1-methyl-N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 5-[3-(aminomethyl)phenyl]-N-[(1S)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]furan-2-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]morpholine-2-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]oxane-4-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]piperidine-3-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-3-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;1-methyl-N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide is CNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CN)c2)o1)C1CCOCC1.CNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CNC(=O)C3CCCN3)c2)o1)C(C)C.CNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CNC(=O)C3CCCN3C)c2)o1)C(C)C.CNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CNC(=O)C3CCCNC3)c2)o1)C(C)C.CNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CNC(=O)C3CCOCC3)c2)o1)C(C)C.CNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CNC(=O)C3CNCCO3)c2)o1)C(C)C.CNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CNC(=O)c3cccnc3)c2)o1)C(C)C.
What is the InChIKey of 5-[3-(aminomethyl)phenyl]-N-[(1S)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]furan-2-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]morpholine-2-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]oxane-4-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]piperidine-3-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-3-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;1-methyl-N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is JDTVBKOSNDUISE-XSPVAQHMSA-N. The full InChI is InChI=1S/2C24H32N4O4.C24H26N4O4.C24H31N3O5.C23H30N4O5.C23H30N4O4.C20H25N3O4/c1-15(2)21(24(31)25-3)27-23(30)20-11-10-19(32-20)17-8-5-7-16(13-17)14-26-22(29)18-9-6-12-28(18)4;2*1-15(2)21(24(31)25-3)28-23(30)20-10-9-19(32-20)17-7-4-6-16(12-17)13-27-22(29)18-8-5-11-26-14-18;1-15(2)21(24(30)25-3)27-23(29)20-8-7-19(32-20)18-6-4-5-16(13-18)14-26-22(28)17-9-11-31-12-10-17;1-14(2)20(23(30)24-3)27-22(29)18-8-7-17(32-18)16-6-4-5-15(11-16)12-26-21(28)19-13-25-9-10-31-19;1-14(2)20(23(30)24-3)27-22(29)19-10-9-18(31-19)16-7-4-6-15(12-16)13-26-21(28)17-8-5-11-25-17;1-22-20(25)18(14-7-9-26-10-8-14)23-19(24)17-6-5-16(27-17)15-4-2-3-13(11-15)12-21/h5,7-8,10-11,13,15,18,21H,6,9,12,14H2,1-4H3,(H,25,31)(H,26,29)(H,27,30);4,6-7,9-10,12,15,18,21,26H,5,8,11,13-14H2,1-3H3,(H,25,31)(H,27,29)(H,28,30);4-12,14-15,21H,13H2,1-3H3,(H,25,31)(H,27,29)(H,28,30);4-8,13,15,17,21H,9-12,14H2,1-3H3,(H,25,30)(H,26,28)(H,27,29);4-8,11,14,19-20,25H,9-10,12-13H2,1-3H3,(H,24,30)(H,26,28)(H,27,29);4,6-7,9-10,12,14,17,20,25H,5,8,11,13H2,1-3H3,(H,24,30)(H,26,28)(H,27,29);2-6,11,14,18H,7-10,12,21H2,1H3,(H,22,25)(H,23,24)/t2*18?,21-;2*21-;19?,20-;17?,20-;18-/m0000000/s1.
What are the key properties of 5-[3-(aminomethyl)phenyl]-N-[(1S)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]furan-2-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]morpholine-2-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]oxane-4-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]piperidine-3-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-3-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;1-methyl-N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide?
5-[3-(aminomethyl)phenyl]-N-[(1S)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]furan-2-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]morpholine-2-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]oxane-4-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]piperidine-3-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-3-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;1-methyl-N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 2997.58 g/mol, XLogP of 14.03, 54 rotatable bonds, 24 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(aminomethyl)phenyl]-N-[(1S)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]furan-2-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]morpholine-2-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]oxane-4-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]piperidine-3-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyridine-3-carboxamide;N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;1-methyl-N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 158887165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).